4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one

C11H8F4O2 — CID 144706040

IUPAC4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one
SMILESO=C1CC(c2ccc(F)cc2)C(C(F)(F)F)O1
InChIInChI=1S/C11H8F4O2/c12-7-3-1-6(2-4-7)8-5-9(16)17-10(8)11(13,14)15/h1-4,8,10H,5H2
InChIKeyLKQOVZYUMUFEOO-UHFFFAOYSA-N
MW248.17 g/mol
LogP2.79
Rot. Bonds1

About 4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one

4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one (PubChem CID 144706040) has the molecular formula C11H8F4O2 and a molecular weight of 248.17 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one
PubChem CID144706040
Molecular FormulaC11H8F4O2
Molecular Weight248.17 g/mol
Exact Mass248.05
IUPAC Name4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one
SMILESO=C1CC(c2ccc(F)cc2)C(C(F)(F)F)O1
InChIInChI=1S/C11H8F4O2/c12-7-3-1-6(2-4-7)8-5-9(16)17-10(8)11(13,14)15/h1-4,8,10H,5H2
InChIKeyLKQOVZYUMUFEOO-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one?
The IUPAC name of 4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one (CID 144706040) is 4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one is O=C1CC(c2ccc(F)cc2)C(C(F)(F)F)O1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one?
The InChIKey is LKQOVZYUMUFEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4O2/c12-7-3-1-6(2-4-7)8-5-9(16)17-10(8)11(13,14)15/h1-4,8,10H,5H2.
What are the key properties of 4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one?
4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one has a molecular weight of 248.17 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 144706040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).