undecafluorocyclohexane-1-carbonyl fluoride

• ChemBase ID: 98658
• Molecular Formular: C7F12O
• Molecular Mass: 328.0551384
• Monoisotopic Mass: 327.97575326
• SMILES: FC1(C(F)(C(=O)F)C(F)(F)C(F)(C(C1(F)F)(F)F)F)F
• Canonical SMILES: FC(=O)C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C7F12O/c8-1(20)2(9)3(10,11)5(14,15)7(18,19)6(16,17)4(2,12)13
• InChIKey: HDVGMDBHTBNCLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecafluorocyclohexane-1-carbonyl fluoride
• IUPAC Traditional name: undecafluorocyclohexane-1-carbonyl fluoride
• Synonyms: Undecafluorocyclohexanecarbonyl fluoride; (Fluorocarbonyl)perfluorocyclohexane; Perfluorocyclohexanecarbonyl fluoride 65%

Database IDs

• CAS Number: 6588-63-2
• MDL Number: MFCD00236697
• PubChem SID: 162085044
• PubChem CID: 2776044

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7158413
• LogD (pH = 7.4): 3.7158413
• Log P: 3.7158413
• Molar Refractivity: 32.9583 cm^3
• Polarizability: 13.396455 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 70°C
• Flash Point: none°C
• Density: 1.6

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon