1-chloro-1,1,3,3,3-pentafluoropropan-2-ol

• ChemBase ID: 99023
• Molecular Formular: C3H2ClF5O
• Molecular Mass: 184.492396
• Monoisotopic Mass: 183.97143346
• SMILES: OC(C(F)(F)Cl)C(F)(F)F
• Canonical SMILES: OC(C(Cl)(F)F)C(F)(F)F
• InChI: InChI=1S/C3H2ClF5O/c4-2(5,6)1(10)3(7,8)9/h1,10H
• InChIKey: HGIOAGJTHRJMPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-1,1,3,3,3-pentafluoropropan-2-ol
• IUPAC Traditional name: 1-chloro-1,1,3,3,3-pentafluoropropan-2-ol
• Synonyms: 1-Chloro-2-hydroxy-1,1,3,3,3-pentafluoropropane; 1-Chloro-1,1,3,3,3-pentafluoropropan-2-ol

Database IDs

• CAS Number: 24332-19-2
• PubChem SID: 162085325
• PubChem CID: 262529

CALCULATED PROPERTIES

• Acid pKa: 8.351508
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6574588
• LogD (pH = 7.4): 1.612086
• Log P: 1.658069
• Molar Refractivity: 23.6665 cm^3
• Polarizability: 8.904301 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: none°C

Safety Information

• Storage Warning: Toxic