decafluorocyclohex-1-ene

• ChemBase ID: 8874
• Molecular Formular: C6F10
• Molecular Mass: 262.048232
• Monoisotopic Mass: 261.9840322
• SMILES: C1(C(C(C(=C(C1(F)F)F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC1=C(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C6F10/c7-1-2(8)4(11,12)6(15,16)5(13,14)3(1,9)10
• InChIKey: ZFFLXJVVPHACEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decafluorocyclohex-1-ene
• IUPAC Traditional name: decafluorocyclohexene
• Synonyms: Decafluorocyclohexene; Decafluorocyclohexene; Perfluorocyclohexene

Database IDs

• CAS Number: 355-75-9
• MDL Number: MFCD00037153
• PubChem SID: 160972181
• PubChem CID: 67738

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8806272
• LogD (pH = 7.4): 2.8806272
• Log P: 2.8806272
• Molar Refractivity: 29.2462 cm^3
• Polarizability: 10.901718 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -50°C
• Boiling Point: 53°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%