(1E)-1,2,3,3,3-pentafluoroprop-1-ene

• ChemBase ID: 6757
• Molecular Formular: C3HF5
• Molecular Mass: 132.032056
• Monoisotopic Mass: 131.99984113
• SMILES: C(/C(=C\F)/F)(F)(F)F
• Canonical SMILES: F/C=C(\C(F)(F)F)/F
• InChI: InChI=1S/C3HF5/c4-1-2(5)3(6,7)8/h1H/b2-1+
• InChIKey: DMUPYMORYHFFCT-OWOJBTEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1E)-1,2,3,3,3-pentafluoroprop-1-ene
• IUPAC Traditional name: (1E)-1,2,3,3,3-pentafluoroprop-1-ene
• Synonyms: 1,2,3,3,3-Pentafluoropropene

Database IDs

• CAS Number: 2252-83-7
• MDL Number: MFCD02262202
• PubChem SID: 160970064
• PubChem CID: 6329539

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4891461
• LogD (pH = 7.4): 1.4891461
• Log P: 1.4891461
• Molar Refractivity: 16.9228 cm^3
• Polarizability: 5.904744 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: GAS
• TSCA Listed: false

Product Information

• Purity: 97%