(1Z)-1,2,3,3,4,4,4-heptafluoro-1-iodobut-1-ene

• ChemBase ID: 11990
• Molecular Formular: C4F7I
• Molecular Mass: 307.9360924
• Monoisotopic Mass: 307.89329554
• SMILES: C(=C(\C(C(F)(F)F)(F)F)/F)(\F)/I
• Canonical SMILES: F/C(=C(\C(C(F)(F)F)(F)F)/F)/I
• InChI: InChI=1S/C4F7I/c5-1(2(6)12)3(7,8)4(9,10)11/b2-1-
• InChIKey: QXJDESBAUIILLG-UPHRSURJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1Z)-1,2,3,3,4,4,4-heptafluoro-1-iodobut-1-ene; 1,2,3,3,4,4,4-heptafluoro-1-iodobut-1-ene
• IUPAC Traditional name: (1Z)-1,2,3,3,4,4,4-heptafluoro-1-iodobut-1-ene; 1,2,3,3,4,4,4-heptafluoro-1-iodobut-1-ene
• Synonyms: Heptafluoro-1-iodobut-1-ene

Database IDs

• CAS Number: 113612-30-9
• MDL Number: MFCD00155830
• PubChem SID: 160975297
• PubChem CID: 2774920

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7394712
• LogD (pH = 7.4): 3.7394712
• Log P: 3.7394712
• Molar Refractivity: 43.2965 cm^3
• Polarizability: 13.400631 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant; IRRITANT, LIGHT SENSITIVE
• TSCA Listed: false

Product Information

• Purity: 97%