1,1,1,2,2,3,3-heptafluoropropane

• ChemBase ID: 97425
• Molecular Formular: C3HF7
• Molecular Mass: 170.0288624
• Monoisotopic Mass: 169.99664757
• SMILES: FC(F)(F)C(F)(F)C(F)F
• Canonical SMILES: FC(C(C(F)(F)F)(F)F)F
• InChI: InChI=1S/C3HF7/c4-1(5)2(6,7)3(8,9)10/h1H
• InChIKey: UKACHOXRXFQJFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3-heptafluoropropane
• IUPAC Traditional name: 1,1,1,2,2,3,3-heptafluoropropane
• Synonyms: 1,1,1,2,2,3,3-Heptafluoropropane; 1H-Heptafluoropropane (FC-227ca) 97%

Database IDs

• CAS Number: 2252-84-8
• MDL Number: MFCD00236614
• PubChem SID: 162084032
• PubChem CID: 62442

CALCULATED PROPERTIES

• Acid pKa: 19.369883
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2935996
• LogD (pH = 7.4): 2.2935996
• Log P: 2.2935996
• Molar Refractivity: 16.6475 cm^3
• Polarizability: 6.5009613 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -129.5°C
• Boiling Point: -16°C
• Flash Point: none°C

Safety Information

• Storage Warning: Irritant

DETAILS

Apollo Scientific Ltd - PC4505

Cylinder - 1/4" NPT connection