1,1,2,2,3,3,4,4,4a,5,5,6,7,8,8a-pentadecafluoro-8-(pentafluoroethyl)-6,7-bis(trifluoromethyl)-decahydronaphthalene

• ChemBase ID: 94127
• Molecular Formular: C14F26
• Molecular Mass: 662.1082832
• Monoisotopic Mass: 661.95848372
• SMILES: FC12C(C(C(C(C1(F)C(F)(C(C(C2(F)C(C(F)(F)F)(F)F)(F)C(F)(F)F)(F)C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C1(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(C2(C1(F)C(F)(F)C(C(C2(F)F)(F)F)(F)F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C14F26/c15-1(9(26,27)14(38,39)40)2(16)4(18,8(24,25)11(30,31)10(28,29)7(2,22)23)6(20,21)5(19,13(35,36)37)3(1,17)12(32,33)34
• InChIKey: YSROAMWJNUETQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,4,4a,5,5,6,7,8,8a-pentadecafluoro-8-(pentafluoroethyl)-6,7-bis(trifluoromethyl)-decahydronaphthalene
• IUPAC Traditional name: 1,1,2,2,3,3,4,4,4a,5,5,6,7,8,8a-pentadecafluoro-8-(pentafluoroethyl)-6,7-bis(trifluoromethyl)naphthalene
• Synonyms: Perfluoro(ethyldimethyldecalin) (mixed isomers) 97%

Database IDs

• MDL Number: MFCD09258990
• PubChem SID: 162080782
• PubChem CID: 2776112

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.8202477
• LogD (pH = 7.4): 7.8202477
• Log P: 7.8202477
• Molar Refractivity: 63.1893 cm^3
• Polarizability: 25.924992 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant