1-chloro-1,2,3,3,3-pentafluoroprop-1-ene

• ChemBase ID: 99873
• Molecular Formular: C3ClF5
• Molecular Mass: 166.477116
• Monoisotopic Mass: 165.96086878
• SMILES: Cl/C(=C(/C(F)(F)F)\F)/F
• Canonical SMILES: F/C(=C(\C(F)(F)F)/F)/Cl
• InChI: InChI=1S/C3ClF5/c4-2(6)1(5)3(7,8)9
• InChIKey: NJLPMHLSZDVUMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-1,2,3,3,3-pentafluoroprop-1-ene
• IUPAC Traditional name: 1-chloro-1,2,3,3,3-pentafluoroprop-1-ene
• Synonyms: 1-Chloro-1,2,3,3,3-pentafluoroprop-1-ene

Database IDs

• CAS Number: 2804-49-1
• MDL Number: MFCD09998196
• PubChem SID: 162086120
• PubChem CID: 13717712

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1000304
• LogD (pH = 7.4): 2.1000304
• Log P: 2.1000304
• Molar Refractivity: 32.4742 cm^3
• Polarizability: 7.886394 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable