1,1,3,3-tetrafluoroprop-1-ene

• ChemBase ID: 94730
• Molecular Formular: C3H2F4
• Molecular Mass: 114.0415928
• Monoisotopic Mass: 114.00926294
• SMILES: FC(=CC(F)F)F
• Canonical SMILES: FC(C=C(F)F)F
• InChI: InChI=1S/C3H2F4/c4-2(5)1-3(6)7/h1-2H
• InChIKey: BNYODXFAOQCIIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,3,3-tetrafluoroprop-1-ene
• IUPAC Traditional name: 1,1,3,3-tetrafluoroprop-1-ene
• Synonyms: 1,1,3,3-Tetrafluoroprop-1-ene

Database IDs

• CAS Number: 4556-24-5
• MDL Number: MFCD08457545
• PubChem SID: 162081384
• PubChem CID: 21731865

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5482605
• LogD (pH = 7.4): 1.5482605
• Log P: 1.5482605
• Molar Refractivity: 26.8217 cm^3
• Polarizability: 5.7625413 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable/Harmful

DETAILS

Apollo Scientific Ltd - PC2258

Cylinder - 1/4" NPT connection