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

• ChemBase ID: 93407
• Molecular Formular: C3HF5
• Molecular Mass: 132.032056
• Monoisotopic Mass: 131.99984113
• SMILES: FC(F)(F)/C(=C/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
• InChIKey: DMUPYMORYHFFCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,3,3-pentafluoroprop-1-ene
• IUPAC Traditional name: 1,2,3,3,3-pentafluoroprop-1-ene
• Synonyms: 1,2,3,3,3-Pentafluoropropene; 1,2-Difluoro-1-(trifluoromethyl)ethene; HFC-1225ye; 1H-Pentafluoroprop-1-ene 97%; (1E)-1,2,3,3,3-Pentafluoroprop-1-ene; E-HFC-1225ye; (1E)-1H-Perfluoroprop-1-ene; (Z)-1,2,3,3,3-Pentafluoropropene 97%

Database IDs

• CAS Number: 2252-83-7; 5595-10-8; 5528-43-8
• MDL Number: MFCD00798133; MFCD02262202
• PubChem SID: 162080092
• PubChem CID: 5708673

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

Physical Property

• Boiling Point: -18°C

Safety Information

• Storage Warning: Irritant; Irritant/Keep Cold

DETAILS

Apollo Scientific Ltd - PC0752

Mixture of cis/trans isomers, Cylinder - 1/4" NPT connection

Apollo Scientific Ltd - PC6994

Cylinder