2,2,2-trifluoroethyl N-methyl-N-phenylcarbamate

• ChemBase ID: 281025
• Molecular Formular: C10H10F3NO2
• Molecular Mass: 233.1871096
• Monoisotopic Mass: 233.06636323
• SMILES: C(=O)(N(c1ccccc1)C)OCC(F)(F)F
• Canonical SMILES: CN(c1ccccc1)C(=O)OCC(F)(F)F
• InChI: InChI=1S/C10H10F3NO2/c1-14(8-5-3-2-4-6-8)9(15)16-7-10(11,12)13/h2-6H,7H2,1H3
• InChIKey: UOUSCJBWHWPHHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,2-trifluoroethyl N-methyl-N-phenylcarbamate
• IUPAC Traditional name: 2,2,2-trifluoroethyl N-methyl-N-phenylcarbamate
• Synonyms: 2,2,2-trifluoroethyl methyl(phenyl)carbamate

Database IDs

• MDL Number: MFCD11099767
• PubChem SID: 180666556
• PubChem CID: 39871371

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6494095
• LogD (pH = 7.4): 2.6494095
• Log P: 2.6494095
• Molar Refractivity: 51.1106 cm^3
• Polarizability: 19.018593 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.32

Product Information

• Purity: 95%