2,2,2-trifluoroethyl N-(2-methoxyethyl)carbamate

• ChemBase ID: 262374
• Molecular Formular: C6H10F3NO3
• Molecular Mass: 201.1437096
• Monoisotopic Mass: 201.06127785
• SMILES: C(COC(=O)NCCOC)(F)(F)F
• Canonical SMILES: COCCNC(=O)OCC(F)(F)F
• InChI: InChI=1S/C6H10F3NO3/c1-12-3-2-10-5(11)13-4-6(7,8)9/h2-4H2,1H3,(H,10,11)
• InChIKey: WJYWLIYZVZAXMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,2-trifluoroethyl N-(2-methoxyethyl)carbamate
• IUPAC Traditional name: 2,2,2-trifluoroethyl N-(2-methoxyethyl)carbamate
• Synonyms: 2,2,2-trifluoroethyl N-(2-methoxyethyl)carbamate

Database IDs

• MDL Number: MFCD13195848
• PubChem SID: 164318284
• PubChem CID: 45792048

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.72075534
• Log P: 0.7207996
• Molar Refractivity: 37.4798 cm^3
• Polarizability: 14.1866 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 11.338937
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.720799

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.832

Product Information

• Purity: 95%