(Z)-2,2,2-trifluoro-N-(3-methoxyphenyl)ethenecarbonimidoyl chloride

• ChemBase ID: 260820
• Molecular Formular: C9H7ClF3NO
• Molecular Mass: 237.6061896
• Monoisotopic Mass: 237.01682619
• SMILES: C(/C(=N/c1cc(OC)ccc1)/Cl)(F)(F)F
• Canonical SMILES: COc1cccc(c1)/N=C(/C(F)(F)F)\Cl
• InChI: InChI=1S/C9H7ClF3NO/c1-15-7-4-2-3-6(5-7)14-8(10)9(11,12)13/h2-5H,1H3/b14-8-
• InChIKey: WUVOWVWHUFECNR-ZSOIEALJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-2,2,2-trifluoro-N-(3-methoxyphenyl)ethenecarbonimidoyl chloride
• IUPAC Traditional name: (Z)-2,2,2-trifluoro-N-(3-methoxyphenyl)ethenecarbonimidoyl chloride
• Synonyms: 2,2,2-trifluoro-N-(3-methoxyphenyl)ethanecarbonimidoyl chloride

Database IDs

• MDL Number: MFCD11201005
• PubChem SID: 164316730
• PubChem CID: 10354164

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4464
• LogD (pH = 7.4): 3.4464
• Log P: 3.4464
• Molar Refractivity: 52.7212 cm^3
• Polarizability: 18.584633 Å^3
• Polar Surface Area: 21.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.229

Product Information

• Purity: 95%