1,1,2-trifluoroethane

• ChemBase ID: 99563
• Molecular Formular: C2H3F3
• Molecular Mass: 84.0404296
• Monoisotopic Mass: 84.01868476
• SMILES: FCC(F)F
• Canonical SMILES: FCC(F)F
• InChI: InChI=1S/C2H3F3/c3-1-2(4)5/h2H,1H2
• InChIKey: WGZYQOSEVSXDNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2-trifluoroethane
• IUPAC Traditional name: 1,1,2-trifluoroethane
• Synonyms: 1,1,2-Trifluoroethane (FC-143) 99.5%

Database IDs

• CAS Number: 430-66-0
• MDL Number: MFCD00039280
• PubChem SID: 162085826
• PubChem CID: 9890

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.83885044
• LogD (pH = 7.4): 0.83885044
• Log P: 0.83885044
• Molar Refractivity: 11.1296 cm^3
• Polarizability: 4.241412 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -84°C
• Boiling Point: 5°C

Safety Information

• Storage Warning: Flammable

DETAILS

Apollo Scientific Ltd - PC7300

Cylinder - 1/4" NPT connection