1,3,3-trichloro-1-fluoroprop-1-ene

• ChemBase ID: 99666
• Molecular Formular: C3H2Cl3F
• Molecular Mass: 163.4053832
• Monoisotopic Mass: 161.92061132
• SMILES: F/C(=C/C(Cl)Cl)/Cl
• Canonical SMILES: F/C(=C/C(Cl)Cl)/Cl
• InChI: InChI=1S/C3H2Cl3F/c4-2(5)1-3(6)7/h1-2H
• InChIKey: YYDPDTHRBQYLSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,3-trichloro-1-fluoroprop-1-ene
• IUPAC Traditional name: 1,3,3-trichloro-1-fluoroprop-1-ene
• Synonyms: R-1231; 1-Fluoro-1,3,3-trichloroprop-1-ene

Database IDs

• PubChem SID: 162105300
• PubChem CID: 21838912

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.702704
• LogD (pH = 7.4): 2.702704
• Log P: 2.702704
• Molar Refractivity: 41.2937 cm^3
• Polarizability: 11.621656 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable/Irritant