1,1,1,2-tetrafluoro-6-iodo-2-(trifluoromethyl)hexane

• ChemBase ID: 15085
• Molecular Formular: C7H8F7I
• Molecular Mass: 352.0317124
• Monoisotopic Mass: 351.9558958
• SMILES: C(C(CCCCI)(C(F)(F)F)F)(F)(F)F
• Canonical SMILES: ICCCCC(C(F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C7H8F7I/c8-5(6(9,10)11,7(12,13)14)3-1-2-4-15/h1-4H2
• InChIKey: AMVCCXPQNKKJDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2-tetrafluoro-6-iodo-2-(trifluoromethyl)hexane
• IUPAC Traditional name: 1,1,1,2-tetrafluoro-6-iodo-2-(trifluoromethyl)hexane
• Synonyms: 1,1,1,2-Tetrafluoro-2-(trifluoromethyl)-6-iodohexane

Database IDs

• MDL Number: MFCD06248783
• PubChem SID: 160978392
• PubChem CID: 45074912

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.568397
• LogD (pH = 7.4): 4.568397
• Log P: 4.568397
• Molar Refractivity: 48.7157 cm^3
• Polarizability: 18.545975 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false