1,2-dibromo-1,1,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptane

• ChemBase ID: 99283
• Molecular Formular: C7Br2F14
• Molecular Mass: 509.8605448
• Monoisotopic Mass: 507.81431908
• SMILES: FC(C(F)(C(F)(F)C(F)(F)C(F)(F)C(C(Br)(F)F)(Br)F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(Br)(F)F)(Br)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7Br2F14/c8-1(10,6(9,19)20)2(11,12)3(13,14)4(15,16)5(17,18)7(21,22)23
• InChIKey: HSLSYHFNCGWUKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-1,1,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptane
• IUPAC Traditional name: 1,2-dibromo-1,1,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptane
• Synonyms: 1,2-Dibromoperfluoroheptane

Database IDs

• MDL Number: MFCD03094409
• PubChem SID: 162085564
• PubChem CID: 2778912

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.435547
• LogD (pH = 7.4): 6.435547
• Log P: 6.435547
• Molar Refractivity: 51.5876 cm^3
• Polarizability: 20.527338 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant