1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane

• ChemBase ID: 98464
• Molecular Formular: C8ClF17
• Molecular Mass: 454.5114544
• Monoisotopic Mass: 453.94170742
• SMILES: FC(C(C(C(F)(F)C(C(F)(C(F)(C(Cl)(F)F)F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8ClF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26
• InChIKey: SYVYTZLRTMPUCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
• IUPAC Traditional name: 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
• Synonyms: 1-Chloroperfluorooctane 97%

Database IDs

• CAS Number: 307-35-5
• PubChem SID: 162084890
• PubChem CID: 101641

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.4922605
• LogD (pH = 7.4): 6.4922605
• Log P: 6.4922605
• Molar Refractivity: 45.712 cm^3
• Polarizability: 18.02126 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant