1,1,2-trichloro-2-fluoroethene

• ChemBase ID: 97322
• Molecular Formular: C2Cl3F
• Molecular Mass: 149.3788032
• Monoisotopic Mass: 147.90496126
• SMILES: FC(=C(Cl)Cl)Cl
• Canonical SMILES: ClC(=C(Cl)F)Cl
• InChI: InChI=1S/C2Cl3F/c3-1(4)2(5)6
• InChIKey: LFMIQNJMJJKICW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2-trichloro-2-fluoroethene
• IUPAC Traditional name: 1,1,2-trichloro-2-fluoroethene
• Synonyms: Fluorotrichloroethylene 97%

Database IDs

• CAS Number: 359-29-5
• MDL Number: MFCD00042304
• PubChem SID: 162083932
• PubChem CID: 71084

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3278763
• LogD (pH = 7.4): 2.3278763
• Log P: 2.3278763
• Molar Refractivity: 46.14 cm^3
• Polarizability: 9.900734 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -109°C
• Boiling Point: 71°C
• Flash Point: none°C
• Density: 1.546

Safety Information

• Storage Warning: Irritant