1-(bromomethyl)-2-(trifluoromethyl)cyclopropane

• ChemBase ID: 282114
• Molecular Formular: C5H6BrF3
• Molecular Mass: 203.0003496
• Monoisotopic Mass: 201.96049685
• SMILES: C1(CC1CBr)C(F)(F)F
• Canonical SMILES: BrCC1CC1C(F)(F)F
• InChI: InChI=1S/C5H6BrF3/c6-2-3-1-4(3)5(7,8)9/h3-4H,1-2H2
• InChIKey: DDNFMRMLLSCYSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-2-(trifluoromethyl)cyclopropane
• IUPAC Traditional name: 1-(bromomethyl)-2-(trifluoromethyl)cyclopropane
• Synonyms: 1-(bromomethyl)-2-(trifluoromethyl)cyclopropane

Database IDs

• MDL Number: MFCD16990766
• PubChem SID: 180667645
• PubChem CID: 50989377

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3664007
• LogD (pH = 7.4): 2.3664007
• Log P: 2.3664007
• Molar Refractivity: 31.6443 cm^3
• Polarizability: 11.911741 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.072

Product Information

• Purity: 95%