1,1,2,2,3,3,4,5,5,6,6,7,7,8-tetradecafluoro-4,8-dimethylcyclooctane

• ChemBase ID: 98584
• Molecular Formular: C10H6F14
• Molecular Mass: 392.1322848
• Monoisotopic Mass: 392.02459527
• SMILES: FC1(C)C(C(C(C(C(F)(F)C(C1(F)F)(F)F)(F)C)(F)F)(F)F)(F)F
• Canonical SMILES: CC1(F)C(F)(F)C(F)(F)C(F)(F)C(C(C(C1(F)F)(F)F)(F)F)(C)F
• InChI: InChI=1S/C10H6F14/c1-3(11)5(13,14)9(21,22)7(17,18)4(2,12)8(19,20)10(23,24)6(3,15)16/h1-2H3
• InChIKey: ABYARYWWHVMEOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,5,5,6,6,7,7,8-tetradecafluoro-4,8-dimethylcyclooctane
• IUPAC Traditional name: 1,1,2,2,3,3,4,5,5,6,6,7,7,8-tetradecafluoro-4,8-dimethylcyclooctane
• Synonyms: 1,5-(Dimethyl)perfluorocyclooctane

Database IDs

• PubChem SID: 162105155
• PubChem CID: 45933686

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.2865233
• LogD (pH = 7.4): 5.2865233
• Log P: 5.2865233
• Molar Refractivity: 45.8252 cm^3
• Polarizability: 18.140272 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant