1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptane

• ChemBase ID: 100842
• Molecular Formular: C7H2F14
• Molecular Mass: 352.0684248
• Monoisotopic Mass: 351.99329514
• SMILES: C(C(F)(F)C(F)(F)C(F)(F)C(F)(C(C(F)F)(F)F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C7H2F14/c8-1(9)3(12,13)5(16,17)7(20,21)6(18,19)4(14,15)2(10)11/h1-2H
• InChIKey: JEKPYLPQINQEAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptane
• IUPAC Traditional name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptane
• Synonyms: 1H,7H-Perfluoroheptane 97%

Database IDs

• CAS Number: 19493-30-2
• MDL Number: MFCD08458164
• PubChem SID: 162087427
• PubChem CID: 21020667

CALCULATED PROPERTIES

• Acid pKa: 19.485748
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.60741
• LogD (pH = 7.4): 4.60741
• Log P: 4.60741
• Molar Refractivity: 34.4298 cm^3
• Polarizability: 13.977667 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant