2,2,3,3,4,4,4-Heptafluorobutanimidohydrazide (CED0189965)

Record Information

Version

1.0

Creation Date

2026-04-06 05:22:50 UTC

Update Date

2026-08-22 16:48:43 UTC

SynCED ID

CED0189965

Secondary Accession Numbers

CHEM117999

Identification

Common Name

2,2,3,3,4,4,4-Heptafluorobutanimidohydrazide

Class

Small Molecule

Description

2,2,3,3,4,4,4-Heptafluorobutanimidohydrazide is an organic compound with the formula C4H4F7N3 and an average molecular weight of 227.09 g/mol. 2,2,3,3,4,4,4-Heptafluorobutanimidohydrazide belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound is found in or released from 13 recorded sources across multiple sectors. In the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is present in textiles, leather and furnishings, specifically in synthetic textiles as well as carpets and rugs. Within food, food processing and cookware, it is found in food packaging, while in healthcare, pharmaceuticals and veterinary products, it is linked to medical devices. Additionally, it is utilized as a lubricant in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector. One further sector is also recorded. Recorded exposure routes for this substance include inhalation, oral, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄H₄F₇N₃

Average Molecular Mass

227.086 g/mol

Monoisotopic Mass

227.029 g/mol

CAS Registry Number

663-24-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

NNC(=N)C(F)(F)C(F)(F)C(F)(F)F

InChI Identifier

InChI=1S/C4H4F7N3/c5-2(6,1(12)14-13)3(7,8)4(9,10)11/h13H2,(H2,12,14)

InChI Key

BABBVHCTEIQUCJ-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
185.0 Log mg/kg [100:330]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.	Electrical & Electronic Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.	Electrical & Electronic Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.	Textiles, leather & furnishings	Not Available
CEDs000454	Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.	Textiles, leather & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Nitric oxide synthase, inducible	P35228	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.318 Statistical Significance 0.4412 Supporting Reference Compounds 47 E-value 3434.4
Click to view 3D structure	Utrophin	E9Q6R7	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.154 Low confidence Statistical Significance 0.3668 Supporting Reference Compounds 1 E-value 2855.51
Click to view 3D structure	Nitric oxide synthase, inducible	P29477	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.318 Statistical Significance 0.5908 Supporting Reference Compounds 47 E-value 4599.1
Click to view 3D structure	Histone deacetylase-like amidohydrolase	Q70I53	Alcaligenes sp. (strain DSM 11172)	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.171 Low confidence Statistical Significance 0.217 Supporting Reference Compounds 11 E-value 1689.17
Click to view 3D structure	Nitric oxide synthase 1	P29475	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.318 Statistical Significance 0.7148 Supporting Reference Compounds 65 E-value 5564.97
Click to view 3D structure	Diamine oxidase [copper-containing]	P19801	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.318 Statistical Significance 0.0337 Supporting Reference Compounds 11 E-value 262.508
Click to view 3D structure	Nitric oxide synthase 1	P29476	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.318 Statistical Significance 0.5717 Supporting Reference Compounds 49 E-value 4450.8
Click to view 3D structure	Deoxyhypusine synthase	Q9GSW0	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.147 Low confidence Statistical Significance 0.0112 Supporting Reference Compounds 1 E-value 87.0354
Click to view 3D structure	Acetylpolyamine amidohydrolase	Q48935	Mycoplana ramosa	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.146 Low confidence Statistical Significance 0.0098 Supporting Reference Compounds 1 E-value 76.2144
Click to view 3D structure	Putative agmatine deiminase	Q8DW17	Streptococcus mutans serotype c (strain ATCC 700610 / UA159)	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.143 Low confidence Statistical Significance 0.0061 Supporting Reference Compounds 1 E-value 47.7994
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.149 Low confidence Statistical Significance 0.9958 Supporting Reference Compounds 553 E-value 7752.54
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.154 Low confidence Statistical Significance 0.992 Supporting Reference Compounds 472 E-value 7722.49
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.154 Low confidence Statistical Significance 0.9895 Supporting Reference Compounds 407 E-value 7703.49
Click to view 3D structure	Polyamine oxidase 1	O64411	Zea mays	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.152 Low confidence Statistical Significance 0.0105 Supporting Reference Compounds 2 E-value 81.6638
Click to view 3D structure	Sodium/hydrogen exchanger 1	P19634	Humans	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.138 Low confidence Statistical Significance 0.6968 Supporting Reference Compounds 21 E-value 5424.77
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.13 Applicability Domain 0.14 Low confidence Statistical Significance 0.9989 Supporting Reference Compounds 1245 E-value 7776.59
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.158 Low confidence Statistical Significance 0.9946 Supporting Reference Compounds 331 E-value 7743.27
Click to view 3D structure	Isopentenyl-diphosphate Delta-isomerase	Q46822	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.128 Low confidence Statistical Significance 0.0095 Supporting Reference Compounds 1 E-value 74.1903
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.126 Applicability Domain 0.143 Low confidence Statistical Significance 0.9988 Supporting Reference Compounds 825 E-value 7775.97
Click to view 3D structure	Deoxyhypusine synthase	Q6AY53	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.152 Low confidence Statistical Significance 0.0129 Supporting Reference Compounds 3 E-value 100.581
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	Prediction Confidence Score 0.124 Applicability Domain 0.156 Low confidence Statistical Significance 0.9837 Supporting Reference Compounds 102 E-value 7658.42
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.152 Low confidence Statistical Significance 0.9974 Supporting Reference Compounds 317 E-value 7764.84
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.152 Low confidence Statistical Significance 0.9982 Supporting Reference Compounds 497 E-value 7771.3
Click to view 3D structure	Histone deacetylase 7	Q8WUI4	Humans	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.152 Low confidence Statistical Significance 0.9936 Supporting Reference Compounds 148 E-value 7735.41
Click to view 3D structure	Solute carrier family 22 member 3	O75751	Humans	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.143 Low confidence Statistical Significance 0.6539 Supporting Reference Compounds 17 E-value 5090.79