2-chloro-1,1,1-trifluoroethane

• ChemBase ID: 10763
• Molecular Formular: C2H2ClF3
• Molecular Mass: 118.4854896
• Monoisotopic Mass: 117.9797124
• SMILES: C(CCl)(F)(F)F
• Canonical SMILES: ClCC(F)(F)F
• InChI: InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2
• InChIKey: CYXIKYKBLDZZNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1,1,1-trifluoroethane
• IUPAC Traditional name: 1,1,1-trifluoro-2-chloroethane
• Synonyms: 2-Chloro-1,1,1-trifluoroethane

Database IDs

• CAS Number: 75-88-7
• MDL Number: MFCD00039361
• PubChem SID: 160974070
• PubChem CID: 6408

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.791111
• LogD (pH = 7.4): 1.791111
• Log P: 1.791111
• Molar Refractivity: 16.7624 cm^3
• Polarizability: 6.2233806 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -105.5°C
• Boiling Point: 6.9°C

Safety Information

• Storage Warning: GAS, OZONE DEPLETER
• TSCA Listed: true

Product Information

• Purity: 99%