1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)pentane

• ChemBase ID: 93595
• Molecular Formular: C6H6F7I
• Molecular Mass: 338.0051324
• Monoisotopic Mass: 337.94024573
• SMILES: FC(C(F)(F)F)(CC(C)I)C(F)(F)F
• Canonical SMILES: CC(CC(C(F)(F)F)(C(F)(F)F)F)I
• InChI: InChI=1S/C6H6F7I/c1-3(14)2-4(7,5(8,9)10)6(11,12)13/h3H,2H2,1H3
• InChIKey: DOOITBZJYVIFEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)pentane
• IUPAC Traditional name: 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)pentane
• Synonyms: 1,1,1,2-Tetrafluoro-2-trifluoromethyl-4-ioodopentane

Database IDs

• MDL Number: MFCD01075289
• PubChem SID: 162080280
• PubChem CID: 2782603

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9192626
• LogD (pH = 7.4): 3.9192626
• Log P: 3.9192626
• Molar Refractivity: 43.9381 cm^3
• Polarizability: 16.88078 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Light Sensitive