2-(trifluoromethyl)-1,3-oxazolidine

• ChemBase ID: 257898
• Molecular Formular: C4H6F3NO
• Molecular Mass: 141.0917496
• Monoisotopic Mass: 141.04014848
• SMILES: C(C1NCCO1)(F)(F)F
• Canonical SMILES: FC(C1NCCO1)(F)F
• InChI: InChI=1S/C4H6F3NO/c5-4(6,7)3-8-1-2-9-3/h3,8H,1-2H2
• InChIKey: FBPSIMNHRRIBKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(trifluoromethyl)-1,3-oxazolidine
• IUPAC Traditional name: 2-(trifluoromethyl)-1,3-oxazolidine
• Synonyms: 2-(trifluoromethyl)-1,3-oxazolidine

Database IDs

• MDL Number: MFCD01709803
• PubChem SID: 164313808
• PubChem CID: 207922

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8613331
• LogD (pH = 7.4): 0.8694904
• Log P: 0.8695954
• Molar Refractivity: 23.9556 cm^3
• Polarizability: 9.297785 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.039

Product Information

• Purity: 95%