2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide

• ChemBase ID: 234708
• Molecular Formular: C9H13ClF3NO
• Molecular Mass: 243.6538296
• Monoisotopic Mass: 243.06377638
• SMILES: N(C(=O)CCl)(C(C1CC1)C)CC(F)(F)F
• Canonical SMILES: ClCC(=O)N(C(C1CC1)C)CC(F)(F)F
• InChI: InChI=1S/C9H13ClF3NO/c1-6(7-2-3-7)14(8(15)4-10)5-9(11,12)13/h6-7H,2-5H2,1H3
• InChIKey: DZRYFGTYICDZET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
• Synonyms: 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide

Database IDs

• MDL Number: MFCD06360128
• PubChem SID: 164290618
• PubChem CID: 3678006

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.106656
• LogD (pH = 7.4): 2.106656
• Log P: 2.106656
• Molar Refractivity: 50.8234 cm^3
• Polarizability: 19.182491 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.381

Product Information

• Purity: 95%