2,5-bis(trifluoromethyl)furan

• ChemBase ID: 93199
• Molecular Formular: C6H2F6O
• Molecular Mass: 204.0698992
• Monoisotopic Mass: 204.000984
• SMILES: o1c(ccc1C(F)(F)F)C(F)(F)F
• Canonical SMILES: FC(c1ccc(o1)C(F)(F)F)(F)F
• InChI: InChI=1S/C6H2F6O/c7-5(8,9)3-1-2-4(13-3)6(10,11)12/h1-2H
• InChIKey: ULGLWGFLVRSWIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-bis(trifluoromethyl)furan
• IUPAC Traditional name: 2,5-bis(trifluoromethyl)furan
• Synonyms: 2,5-Bis(trifluoromethyl)furan

Database IDs

• MDL Number: MFCD00525571
• PubChem SID: 162079884
• PubChem CID: 2736153

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7091906
• LogD (pH = 7.4): 2.7091906
• Log P: 2.7091906
• Molar Refractivity: 30.2738 cm^3
• Polarizability: 10.618785 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful