3,3,4,4,4-pentafluoro-1-iodobut-1-ene

• ChemBase ID: 97575
• Molecular Formular: C4H2F5I
• Molecular Mass: 271.955166
• Monoisotopic Mass: 271.91213916
• SMILES: FC(/C=C/I)(C(F)(F)F)F
• Canonical SMILES: I/C=C/C(C(F)(F)F)(F)F
• InChI: InChI=1S/C4H2F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H
• InChIKey: RGMOTVZOASYAQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4,4-pentafluoro-1-iodobut-1-ene
• IUPAC Traditional name: 3,3,4,4,4-pentafluoro-1-iodobut-1-ene
• Synonyms: 3,3,4,4,4-Pentafluoro-1-iodobut-1-ene

Database IDs

• PubChem SID: 162105082
• PubChem CID: 5709617

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1239061
• LogD (pH = 7.4): 3.1239061
• Log P: 3.1239061
• Molar Refractivity: 34.7025 cm^3
• Polarizability: 13.109206 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true