1-chloro-1-fluoroethane

• ChemBase ID: 7023
• Molecular Formular: C2H4ClF
• Molecular Mass: 82.5045632
• Monoisotopic Mass: 81.99855603
• SMILES: C(C)(Cl)F
• Canonical SMILES: CC(Cl)F
• InChI: InChI=1S/C2H4ClF/c1-2(3)4/h2H,1H3
• InChIKey: YACLCMMBHTUQON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-1-fluoroethane
• IUPAC Traditional name: ethane, 1-chloro-1-fluoro-
• Synonyms: 1-Chloro-1-fluoroethane

Database IDs

• CAS Number: 1615-75-4
• MDL Number: MFCD00221779
• PubChem SID: 160970330
• PubChem CID: 15373

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0850437
• LogD (pH = 7.4): 1.0850437
• Log P: 1.0850437
• Molar Refractivity: 16.3621 cm^3
• Polarizability: 6.1382985 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 16°C

Safety Information

• Storage Warning: GAS, FLAMMABLE
• RTECS: KH7784000
• TSCA Listed: false