trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl)silane

• ChemBase ID: 99851
• Molecular Formular: C14H4Cl3F25Si
• Molecular Mass: 781.58614
• Monoisotopic Mass: 779.8748652
• SMILES: [Si](CCC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)(Cl)Cl
• Canonical SMILES: Cl[Si](CCC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)Cl
• InChI: InChI=1S/C14H4Cl3F25Si/c15-43(16,17)2-1-3(18,19)4(20,21)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)42/h1-2H2
• InChIKey: XHHTUOVNMZYWFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl)silane
• IUPAC Traditional name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl)silane
• Synonyms: 1H,1H,2H,2H-Perfluorotetradecyltrichlorosilane 97%

Database IDs

• CAS Number: 102488-50-6
• MDL Number: MFCD07368764
• PubChem SID: 162086098
• PubChem CID: 2782915

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 12.3264
• LogD (pH = 7.4): 12.3264
• Log P: 12.3264
• Molar Refractivity: 85.1079 cm^3
• Polarizability: 35.358624 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive