2,2,2-trifluoroethyl chloroformate

• ChemBase ID: 255046
• Molecular Formular: C3H2ClF3O2
• Molecular Mass: 162.4949896
• Monoisotopic Mass: 161.96954164
• SMILES: C(COC(=O)Cl)(F)(F)F
• Canonical SMILES: ClC(=O)OCC(F)(F)F
• InChI: InChI=1S/C3H2ClF3O2/c4-2(8)9-1-3(5,6)7/h1H2
• InChIKey: UJZBSAONPRVEIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,2-trifluoroethyl chloroformate
• IUPAC Traditional name: 2,2,2-trifluoroethyl chloroformate
• Synonyms: 2,2,2-trifluoroethyl chloridocarbonate

Database IDs

• MDL Number: MFCD00800932
• PubChem SID: 164310956
• PubChem CID: 2769648

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8843713
• LogD (pH = 7.4): 1.8843713
• Log P: 1.8843713
• Molar Refractivity: 23.5759 cm^3
• Polarizability: 9.0593605 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.848

Product Information

• Purity: 95%