1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-tetracosafluoro-2,11-bis(trifluoromethyl)dodecane

• ChemBase ID: 98700
• Molecular Formular: C14F30
• Molecular Mass: 738.101896
• Monoisotopic Mass: 737.9520966
• SMILES: FC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C14F30/c15-1(11(33,34)35,12(36,37)38)3(17,18)5(21,22)7(25,26)9(29,30)10(31,32)8(27,28)6(23,24)4(19,20)2(16,13(39,40)41)14(42,43)44
• InChIKey: PCEMNVWCINQDOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-tetracosafluoro-2,11-bis(trifluoromethyl)dodecane
• IUPAC Traditional name: 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-tetracosafluoro-2,11-bis(trifluoromethyl)dodecane
• Synonyms: Perfluoro-2,11-dimethyldodecane 97%

Database IDs

• CAS Number: 118694-32-9
• MDL Number: MFCD00233701
• PubChem SID: 162085084
• PubChem CID: 2776090

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.966103
• LogD (pH = 7.4): 9.966103
• Log P: 9.966103
• Molar Refractivity: 69.4334 cm^3
• Polarizability: 27.805798 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant