(3E)-1-bromo-1,1,2,2-tetrafluorooct-3-ene

• ChemBase ID: 6468
• Molecular Formular: C8H11BrF4
• Molecular Mass: 263.0705528
• Monoisotopic Mass: 261.99802523
• SMILES: C(=C\C(C(Br)(F)F)(F)F)/CCCC
• Canonical SMILES: CCCC/C=C/C(C(Br)(F)F)(F)F
• InChI: InChI=1S/C8H11BrF4/c1-2-3-4-5-6-7(10,11)8(9,12)13/h5-6H,2-4H2,1H3/b6-5+
• InChIKey: ZIUUSJGUQRYFKK-AATRIKPKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3E)-1-bromo-1,1,2,2-tetrafluorooct-3-ene; 1-bromo-1,1,2,2-tetrafluorooct-3-ene
• IUPAC Traditional name: (3E)-1-bromo-1,1,2,2-tetrafluorooct-3-ene; 1-bromo-1,1,2,2-tetrafluorooct-3-ene
• Synonyms: 1-Bromo-1,1,2,2-tetrafluoro-3-octene; 1-Bromo-1,1,2,2-tetrafluorooct-3-ene 97%

Database IDs

• CAS Number: 74793-72-9
• MDL Number: MFCD00153715
• PubChem SID: 160969775
• PubChem CID: 5364859

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6359143
• LogD (pH = 7.4): 4.6359143
• Log P: 4.6359143
• Molar Refractivity: 48.3696 cm^3
• Polarizability: 17.538338 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%