4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid

• ChemBase ID: 93457
• Molecular Formular: C10H5F15O2
• Molecular Mass: 442.121548
• Monoisotopic Mass: 442.0050027
• SMILES: O=C(CCC(F)(F)C(F)(F)C(F)(F)C(C(C(F)(F)C(F)(F)F)(F)F)(F)F)O
• Canonical SMILES: OC(=O)CCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H5F15O2/c11-4(12,2-1-3(26)27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H2,(H,26,27)
• InChIKey: HLBRGVKRZQSQHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid
• IUPAC Traditional name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid
• Synonyms: 2H,2H,3H,3H-Perfluorodecanoic acid 97%

Database IDs

• CAS Number: 812-70-4
• MDL Number: MFCD00236698
• PubChem SID: 162080142
• PubChem CID: 2783376

CALCULATED PROPERTIES

• Acid pKa: 0.10753051
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5818771
• LogD (pH = 7.4): 1.5760406
• Log P: 5.1054335
• Molar Refractivity: 51.0765 cm^3
• Polarizability: 19.865578 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Corrosive