4-(4-fluorophenyl)oxan-2-one

C11H11FO2 — CID 102190285

IUPAC4-(4-fluorophenyl)oxan-2-one
SMILESO=C1CC(c2ccc(F)cc2)CCO1
InChIInChI=1S/C11H11FO2/c12-10-3-1-8(2-4-10)9-5-6-14-11(13)7-9/h1-4,9H,5-7H2
InChIKeyKLQHEEVICQCCMM-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.25
Rot. Bonds1

About 4-(4-fluorophenyl)oxan-2-one

4-(4-fluorophenyl)oxan-2-one (PubChem CID 102190285) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is 4-(4-fluorophenyl)oxan-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)oxan-2-one
PubChem CID102190285
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name4-(4-fluorophenyl)oxan-2-one
SMILESO=C1CC(c2ccc(F)cc2)CCO1
InChIInChI=1S/C11H11FO2/c12-10-3-1-8(2-4-10)9-5-6-14-11(13)7-9/h1-4,9H,5-7H2
InChIKeyKLQHEEVICQCCMM-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)oxan-2-one?
The IUPAC name of 4-(4-fluorophenyl)oxan-2-one (CID 102190285) is 4-(4-fluorophenyl)oxan-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)oxan-2-one?
The canonical SMILES for 4-(4-fluorophenyl)oxan-2-one is O=C1CC(c2ccc(F)cc2)CCO1.
What is the InChIKey of 4-(4-fluorophenyl)oxan-2-one?
The InChIKey is KLQHEEVICQCCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c12-10-3-1-8(2-4-10)9-5-6-14-11(13)7-9/h1-4,9H,5-7H2.
What are the key properties of 4-(4-fluorophenyl)oxan-2-one?
4-(4-fluorophenyl)oxan-2-one has a molecular weight of 194.21 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)oxan-2-one is sourced from PubChem (CID 102190285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).