1,1,1,2,2,3-hexafluoropropane

• ChemBase ID: 97570
• Molecular Formular: C3H2F6
• Molecular Mass: 152.0383992
• Monoisotopic Mass: 152.00606938
• SMILES: FCC(C(F)(F)F)(F)F
• Canonical SMILES: FCC(C(F)(F)F)(F)F
• InChI: InChI=1S/C3H2F6/c4-1-2(5,6)3(7,8)9/h1H2
• InChIKey: SUAMPXQALWYDBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3-hexafluoropropane
• IUPAC Traditional name: 1,1,1,2,2,3-hexafluoropropane
• Synonyms: 1,1,1,2,2,3-Hexafluoropropane (FC-236cb); 1H,1H-Perfluoropropane 97%

Database IDs

• CAS Number: 677-56-5
• MDL Number: MFCD00153190
• PubChem SID: 162084170
• PubChem CID: 522282

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0282536
• LogD (pH = 7.4): 2.0282536
• Log P: 2.0282536
• Molar Refractivity: 16.6873 cm^3
• Polarizability: 6.3130717 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: -1°C
• Flash Point: none°C
• Density: 1.32

Safety Information

• Storage Warning: Irritant

DETAILS

Apollo Scientific Ltd - PC4786

Cylinder - 1/4" NPT connection