3-(trifluoromethyl)oxolan-3-amine

• ChemBase ID: 282578
• Molecular Formular: C5H8F3NO
• Molecular Mass: 155.1183296
• Monoisotopic Mass: 155.05579854
• SMILES: C(C1(N)CCOC1)(F)(F)F
• Canonical SMILES: NC1(COCC1)C(F)(F)F
• InChI: InChI=1S/C5H8F3NO/c6-5(7,8)4(9)1-2-10-3-4/h1-3,9H2
• InChIKey: GCSHUWRZDOUZNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(trifluoromethyl)oxolan-3-amine
• IUPAC Traditional name: 3-(trifluoromethyl)oxolan-3-amine
• Synonyms: 3-(trifluoromethyl)oxolan-3-amine

Database IDs

• MDL Number: MFCD18380770
• PubChem SID: 180668109
• PubChem CID: 50989636

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.0030923237
• LogD (pH = 7.4): 0.1523546
• Log P: 0.15463245
• Molar Refractivity: 28.8686 cm^3
• Polarizability: 11.038671 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.339

Product Information

• Purity: 95%