Trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide (CED0311910)

Record Information
Version1.0
Creation Date2026-09-01 10:48:55 UTC
Update Date2026-09-01 10:48:55 UTC
Accession NumberCHEM357695
Identification
Common NameTrifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide
ClassSmall Molecule
Description
Trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boranuide is a compound with the formula C7H14BF3NO2-. It has an average molecular weight of 212.00 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H14BF3NO2-
Average Molecular MassNot Available
Monoisotopic Mass212.107 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILES[B-](CCNC(=O)OC(C)(C)C)(F)(F)F
InChI IdentifierInChI=1S/C7H14BF3NO2/c1-7(2,3)14-6(13)12-5-4-8(9,10)11/h4-5H2,1-3H3,(H,12,13)/q-1
InChI KeyWPMLVICGCJWWTJ-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
2501.0Log mg/kg[1400:4400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)101.827
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)113.037
Click to view 3D structureProcathepsin LP25975Bos taurusPredicted (SEA)41.805
Papain structureClick to view 3D structurePapainP00784Carica papayaPredicted (SEA)82.1309
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)189.096
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)286.329
Click to view 3D structureGlutamyl endopeptidaseP0C1U8Staphylococcus aureusPredicted (SEA)98.1679
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)453.238
Click to view 3D structureAcetyl-Coenzyme A carboxylase 2Q1HEC0Rattus norvegicusPredicted (SEA)85.5563
Neuromedin-K receptor structureClick to view 3D structureNeuromedin-K receptorP29371HumansPredicted (SEA)728.046
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)1521.41
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)1361.58
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)1364.0
Cruzipain structureClick to view 3D structureCruzipainP25779Trypanosoma cruziPredicted (SEA)547.825
Gamma-secretase subunit PEN-2 structureClick to view 3D structureGamma-secretase subunit PEN-2Q9NZ42HumansPredicted (SEA)197.036
Click to view 3D structureMecAQ7DHH4Staphylococcus aureusPredicted (SEA)199.839
Click to view 3D structureCathepsin DP80209Bos taurusPredicted (SEA)289.288
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)5844.61
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)1673.99
Click to view 3D structureSuccinate receptor 1Q99MT6Mus musculusPredicted (SEA)7.62922
Click to view 3D structureNeuromedin-K receptorP30098Cavia porcellusPredicted (SEA)484.222
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7098.53
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)2621.81
Click to view 3D structureAcidic phospholipase A2 CM-IP00602Naja mossambicaPredicted (SEA)181.856
Click to view 3D structurePepsin AP00791Sus scrofaPredicted (SEA)427.47
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available