4,4,5,5,6,6,6-Heptafluoro-3-(nitromethyl)hexanoic acid (CED0189491)

Record Information
Version1.0
Creation Date2026-04-06 06:29:39 UTC
Update Date2026-08-24 05:10:31 UTC
Accession NumberCHEM119022
Identification
Common Name4,4,5,5,6,6,6-Heptafluoro-3-(nitromethyl)hexanoic acid
ClassSmall Molecule
Description
4,4,5,5,6,6,6-Heptafluoro-3-(nitromethyl)hexanoic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This compound has the chemical formula C7H6F7NO4 and an average molecular weight of 301.12 g/mol. The substance is found in or released from 13 recorded sources across several sectors. Within Electrical & Electronic Equipment, it is associated with capacitors, batteries, cell phones, printed circuit boards, wires and cables, and one additional source. It is found in textiles, leather & furnishings, specifically in carpets, rugs, and synthetic textiles. Other sources include food packaging from the food, food processing & cookware sector, as well as medical devices from the healthcare, pharmaceuticals & veterinary products sector. Additionally, it is used as lubricants within both the energy, oil & gas sector and the industrial manufacturing & chemical processing sector, along with one further sector. Recorded exposure routes for this compound include oral, inhalation, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC7H6F7NO4
Average Molecular Mass301.117 g/mol
Monoisotopic Mass301.019 g/mol
CAS Registry Number7079-86-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESOC(=O)CC(C[N+]([O-])=O)C(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1S/C7H6F7NO4/c8-5(9,6(10,11)7(12,13)14)3(1-4(16)17)2-15(18)19/h3H,1-2H2,(H,16,17)
InChI KeyMMHHDSOESNPFFR-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
665.0Log mg/kg[370:1200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
120Wires and cablesElectrical & Electronic EquipmentNot Available
121Printed circuit boardsElectrical & Electronic EquipmentNot Available
125BatteriesElectrical & Electronic EquipmentNot Available
130SemiconductorsElectrical & Electronic EquipmentNot Available
138LubricantsEnergy, oil & gasNot Available
147Food packagingFood, food processing & cookwareNot Available
174LubricantsIndustrial manufacturing & chemical processingNot Available
234Medical devicesHealthcare, pharmaceuticals & veterinary productsNot Available
451Carpets and RugsTextiles, leather & furnishingsNot Available
454Synthetic textilesTextiles, leather & furnishingsNot Available
490Personal care & cosmeticsNot Available
492Cell phonesElectrical & Electronic EquipmentNot Available
493CapacitorsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureGlutamate transporter homologO59010Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 /NBRC 100139 / OT-3)Predicted (SEA)16.8933
Click to view 3D structureProtoporphyrinogen oxidase, mitochondrialO24164Nicotiana tabacumPredicted (SEA)278.778
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)5965.82
Click to view 3D structureMast cell carboxypeptidase AP15088HumansPredicted (SEA)614.931
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)1771.46
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)5844.76
Free fatty acid receptor 1 structureClick to view 3D structureFree fatty acid receptor 1O14842HumansPredicted (SEA)4089.34
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)5461.9
Metabotropic glutamate receptor 4 structureClick to view 3D structureMetabotropic glutamate receptor 4Q14833HumansPredicted (SEA)4799.79
Caspase-8 structureClick to view 3D structureCaspase-8Q14790HumansPredicted (SEA)2582.8
Egl nine homolog 1 structureClick to view 3D structureEgl nine homolog 1Q9GZT9HumansPredicted (SEA)3998.88
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)7085.76
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)6016.19
Click to view 3D structureUtrophinE9Q6R7Mus musculusPredicted (SEA)1894.62
Click to view 3D structureDihydroxyacetone phosphate acyltransferaseO15228HumansPredicted (SEA)178.197
Click to view 3D structureCytochrome P450 4A4P10611Oryctolagus cuniculusPredicted (SEA)29.6606
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P42262HumansPredicted (SEA)1435.23
Isocitrate lyase structureClick to view 3D structureIsocitrate lyaseP9WKK7Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)346.04
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansPredicted (SEA)6282.43
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)6960.19
Click to view 3D structureMetabotropic glutamate receptor 6O15303HumansPredicted (SEA)3902.66
Click to view 3D structureN-acetylaspartylglutamate synthase AQ8IXN7HumansPredicted (SEA)98.0122
Click to view 3D structureBeta-lactamase VIM-1Q9XAY4Pseudomonas aeruginosaPredicted (SEA)13.4679
Metabotropic glutamate receptor 8 structureClick to view 3D structureMetabotropic glutamate receptor 8O00222HumansPredicted (SEA)4328.34
Caspase-9 structureClick to view 3D structureCaspase-9P55211HumansPredicted (SEA)2938.03
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available