2-chloro-1,1,1,2-tetrafluoroethane

• ChemBase ID: 125153
• Molecular Formular: C2HClF4
• Molecular Mass: 136.4759528
• Monoisotopic Mass: 135.97029059
• SMILES: FC(F)(F)C(Cl)F
• Canonical SMILES: FC(C(F)(F)F)Cl
• InChI: InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H
• InChIKey: BOUGCJDAQLKBQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1,1,1,2-tetrafluoroethane
• IUPAC Traditional name: 2-chloro-1,1,1,2-tetrafluoroethane
• Synonyms: R-124; HCFC-124; 1-Chloro-1,2,2,2-tetrafluoroethane

Database IDs

• CAS Number: 2837-89-0
• PubChem SID: 162219503
• PubChem CID: 17822
• Chemspider ID: 16841
• Wikipedia Title: 1-Chloro-1,2,2,2-tetrafluoroethane

CALCULATED PROPERTIES

• Acid pKa: 19.498302
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.026384
• LogD (pH = 7.4): 2.026384
• Log P: 2.026384
• Molar Refractivity: 16.898 cm^3
• Polarizability: 6.3551984 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 261.187 °K