1,1,1,2,2,3,3,5,5,5-decafluoro-4-(trifluoromethyl)pentane

• ChemBase ID: 99551
• Molecular Formular: C6HF13
• Molecular Mass: 320.0513816
• Monoisotopic Mass: 319.98706689
• SMILES: FC(C(C(F)(F)C(C(F)(F)F)C(F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(F)(F)F)(F)F)(F)F)C(F)(F)F)(F)F
• InChI: InChI=1S/C6HF13/c7-2(8,5(15,16)6(17,18)19)1(3(9,10)11)4(12,13)14/h1H
• InChIKey: MEJBVGIZGKKPCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(trifluoromethyl)pentane
• IUPAC Traditional name: 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(trifluoromethyl)pentane
• Synonyms: 1,1,1,2,2,3,3,5,5,5-Decafluoro-4-(trifluoromethyl)pentane; 2H-Perfluoro(2-methylpentane)

Database IDs

• CAS Number: 30320-28-6
• MDL Number: MFCD09763637
• PubChem SID: 162085814
• PubChem CID: 10914179

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5246835
• LogD (pH = 7.4): 4.5246835
• Log P: 4.5246835
• Molar Refractivity: 32.2127 cm^3
• Polarizability: 12.263928 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 60-61°C

Safety Information

• Storage Warning: Irritant