ethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate

• ChemBase ID: 95443
• Molecular Formular: C7H10F4O3
• Molecular Mass: 218.1461128
• Monoisotopic Mass: 218.05660706
• SMILES: FC(C(F)(F)F)(C(=O)OCC)OCC
• Canonical SMILES: CCOC(=O)C(C(F)(F)F)(OCC)F
• InChI: InChI=1S/C7H10F4O3/c1-3-13-5(12)6(8,14-4-2)7(9,10)11/h3-4H2,1-2H3
• InChIKey: QOJXQRSCNVLGPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate
• IUPAC Traditional name: ethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate
• Synonyms: Ethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate

Database IDs

• CAS Number: 10186-66-0
• MDL Number: MFCD00205158
• PubChem SID: 162082092
• PubChem CID: 2779789

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3519313
• LogD (pH = 7.4): 2.3519313
• Log P: 2.3519313
• Molar Refractivity: 38.7203 cm^3
• Polarizability: 14.760275 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true