2-(trifluoromethoxy)ethan-1-ol

• ChemBase ID: 281396
• Molecular Formular: C3H5F3O2
• Molecular Mass: 130.0658096
• Monoisotopic Mass: 130.02416406
• SMILES: C(F)(F)(F)OCCO
• Canonical SMILES: OCCOC(F)(F)F
• InChI: InChI=1S/C3H5F3O2/c4-3(5,6)8-2-1-7/h7H,1-2H2
• InChIKey: HZAARXYRNUBDNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(trifluoromethoxy)ethan-1-ol
• IUPAC Traditional name: 2-(trifluoromethoxy)ethanol
• Synonyms: 2-(trifluoromethoxy)ethanol

Database IDs

• MDL Number: MFCD11858187
• PubChem SID: 180666927
• PubChem CID: 17951687

CALCULATED PROPERTIES

• Acid pKa: 15.103838
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0232303
• LogD (pH = 7.4): 1.0232303
• Log P: 1.0232303
• Molar Refractivity: 15.9119 cm^3
• Polarizability: 7.5311427 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.363

Product Information

• Purity: 95%