ethyl N-(hexafluoropropan-2-ylidene)carbamate

• ChemBase ID: 95436
• Molecular Formular: C6H5F6NO2
• Molecular Mass: 237.0998192
• Monoisotopic Mass: 237.02244773
• SMILES: N(=C(C(F)(F)F)C(F)(F)F)C(=O)OCC
• Canonical SMILES: CCOC(=O)N=C(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C6H5F6NO2/c1-2-15-4(14)13-3(5(7,8)9)6(10,11)12/h2H2,1H3
• InChIKey: HRXXRHLTFHWCCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-(hexafluoropropan-2-ylidene)carbamate
• IUPAC Traditional name: ethyl N-(hexafluoropropan-2-ylidene)carbamate
• Synonyms: ethyl N-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]carbamate

Database IDs

• MDL Number: MFCD00114932
• PubChem SID: 162082085
• PubChem CID: 2779778

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8962026
• LogD (pH = 7.4): 2.8962026
• Log P: 2.8962026
• Molar Refractivity: 36.0104 cm^3
• Polarizability: 13.12123 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true