1-(trifluoromethyl)cyclopropane-1-carbaldehyde

• ChemBase ID: 801610
• Molecular Formular: C5H5F3O
• Molecular Mass: 138.0878096
• Monoisotopic Mass: 138.02924944
• SMILES: C1(CC1)(C=O)C(F)(F)F
• Canonical SMILES: O=CC1(CC1)C(F)(F)F
• InChI: InChI=1S/C5H5F3O/c6-5(7,8)4(3-9)1-2-4/h3H,1-2H2
• InChIKey: QUWHGSSMZMPEGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(trifluoromethyl)cyclopropane-1-carbaldehyde
• IUPAC Traditional name: 1-(trifluoromethyl)cyclopropane-1-carbaldehyde
• Synonyms: 1-(TRIFLUOROMETHYL)CYCLOPROPANECARBALDEHYDE

Database IDs

• CAS Number: 1229311-61-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3182757
• LogD (pH = 7.4): 1.3182757
• Log P: 1.3182757
• Molar Refractivity: 24.551 cm^3
• Polarizability: 8.987622 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%