5-bromo-1,1,1-trifluoropentane

• ChemBase ID: 242583
• Molecular Formular: C5H8BrF3
• Molecular Mass: 205.0162296
• Monoisotopic Mass: 203.97614692
• SMILES: C(F)(F)(F)CCCCBr
• Canonical SMILES: BrCCCCC(F)(F)F
• InChI: InChI=1S/C5H8BrF3/c6-4-2-1-3-5(7,8)9/h1-4H2
• InChIKey: BEQKYEJRVRVZNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-1,1,1-trifluoropentane
• IUPAC Traditional name: 5-bromo-1,1,1-trifluoropentane
• Synonyms: 5-bromo-1,1,1-trifluoropentane

Database IDs

• MDL Number: MFCD07780194
• PubChem SID: 164298493
• PubChem CID: 580349

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9801393
• LogD (pH = 7.4): 2.9801393
• Log P: 2.9801393
• Molar Refractivity: 33.5537 cm^3
• Polarizability: 12.547343 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.556

Product Information

• Purity: 95%