2-(pentafluoroprop-1-en-1-yl)oxolane

• ChemBase ID: 100595
• Molecular Formular: C7H7F5O
• Molecular Mass: 202.121896
• Monoisotopic Mass: 202.04170594
• SMILES: O1CCCC1/C(=C(/C(F)(F)F)\F)/F
• Canonical SMILES: F/C(=C(\C(F)(F)F)/F)/C1CCCO1
• InChI: InChI=1S/C7H7F5O/c8-5(4-2-1-3-13-4)6(9)7(10,11)12/h4H,1-3H2
• InChIKey: JTJSDRZZJRJZSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pentafluoroprop-1-en-1-yl)oxolane
• IUPAC Traditional name: 2-(pentafluoroprop-1-en-1-yl)oxolane
• Synonyms: 2-(Pentafluoroprop-1-enyl)tetrahydrofuran

Database IDs

• MDL Number: MFCD00155913
• PubChem SID: 162086558
• PubChem CID: 2776003

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6232666
• LogD (pH = 7.4): 1.6232666
• Log P: 1.6232666
• Molar Refractivity: 36.248 cm^3
• Polarizability: 12.806001 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 128-132°C

Safety Information

• Storage Warning: Irritant