1-chloro-1,2,2,2-tetrafluoro-1-iodoethane

• ChemBase ID: 7026
• Molecular Formular: C2ClF4I
• Molecular Mass: 262.3724828
• Monoisotopic Mass: 261.86693856
• SMILES: C(C(F)(I)Cl)(F)(F)F
• Canonical SMILES: FC(C(F)(F)F)(I)Cl
• InChI: InChI=1S/C2ClF4I/c3-1(4,8)2(5,6)7
• InChIKey: DZIPETVAKXQJPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-1,2,2,2-tetrafluoro-1-iodoethane
• IUPAC Traditional name: 1-chloro-1,2,2,2-tetrafluoro-1-iodoethane
• Synonyms: 1-Chloro-1-iodotetrafluoroethane

Database IDs

• CAS Number: 754-23-4
• MDL Number: MFCD00069126
• PubChem SID: 160970333
• PubChem CID: 584892

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5763
• LogD (pH = 7.4): 2.5763
• Log P: 2.5763
• Molar Refractivity: 30.7624 cm^3
• Polarizability: 11.960504 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 55-56°C; 56°C

Safety Information

• Storage Warning: TOXIC, LIGHT SENSITIVE; Toxic/Light Sensitive
• TSCA Listed: false

Product Information

• Purity: 97%