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

• ChemBase ID: 9138
• Molecular Formular: C7HF15
• Molecular Mass: 370.058888
• Monoisotopic Mass: 369.98387333
• SMILES: C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(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)F
• InChI: InChI=1S/C7HF15/c8-1(9)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)22/h1H
• InChIKey: HBZVXKDQRIQMCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptane
• IUPAC Traditional name: 1-hydro-pentadecafluoroheptane
• Synonyms: 1H-Perfluoroheptane; 1H-Perfluoroheptane 97%; 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoroheptane

Database IDs

• CAS Number: 27213-61-2
• MDL Number: MFCD00042108
• PubChem SID: 160972445
• PubChem CID: 9778

CALCULATED PROPERTIES

• Acid pKa: 19.786777
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0961704
• LogD (pH = 7.4): 5.0961704
• Log P: 5.0961704
• Molar Refractivity: 35.3195 cm^3
• Polarizability: 14.173672 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 96-97°C
• Flash Point: none°C
• Density: 1.725
• Refractive Index: 1.269

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%