2,2,2-trifluoroethyl N-ethyl-N-(naphthalen-1-yl)carbamate

• ChemBase ID: 281031
• Molecular Formular: C15H14F3NO2
• Molecular Mass: 297.2723696
• Monoisotopic Mass: 297.09766335
• SMILES: C(=O)(N(c1c2c(ccc1)cccc2)CC)OCC(F)(F)F
• Canonical SMILES: CCN(c1cccc2c1cccc2)C(=O)OCC(F)(F)F
• InChI: InChI=1S/C15H14F3NO2/c1-2-19(14(20)21-10-15(16,17)18)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3
• InChIKey: JXJRNCSYUCVHOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,2-trifluoroethyl N-ethyl-N-(naphthalen-1-yl)carbamate
• IUPAC Traditional name: 2,2,2-trifluoroethyl N-ethyl-N-(naphthalen-1-yl)carbamate
• Synonyms: 2,2,2-trifluoroethyl ethyl(1-naphthyl)carbamate

Database IDs

• MDL Number: MFCD11099774
• PubChem SID: 180666562
• PubChem CID: 39871386

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9956944
• LogD (pH = 7.4): 3.9956944
• Log P: 3.9956944
• Molar Refractivity: 72.3094 cm^3
• Polarizability: 28.09567 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.023

Product Information

• Purity: 95%