undecafluorohexanoyl fluoride

• ChemBase ID: 100889
• Molecular Formular: C6F12O
• Molecular Mass: 316.0444384
• Monoisotopic Mass: 315.97575326
• SMILES: FC(C(F)(F)C(F)(F)C(F)(F)C(=O)F)(C(F)(F)F)F
• Canonical SMILES: FC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6F12O/c7-1(19)2(8,9)3(10,11)4(12,13)5(14,15)6(16,17)18
• InChIKey: XATLHBQMSOZWBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecafluorohexanoyl fluoride
• IUPAC Traditional name: undecafluorohexanoyl fluoride
• Synonyms: Perfluorohexanoyl fluoride 98%

Database IDs

• CAS Number: 355-38-4
• MDL Number: MFCD08458179
• PubChem SID: 162087455
• PubChem CID: 67731

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9572942
• LogD (pH = 7.4): 3.9572942
• Log P: 3.9572942
• Molar Refractivity: 31.5494 cm^3
• Polarizability: 12.411327 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive