3-(4-fluorophenyl)-3,4-dihydropyran-2-one

C11H9FO2 — CID 141270392

IUPAC3-(4-fluorophenyl)-3,4-dihydropyran-2-one
SMILESO=C1OC=CCC1c1ccc(F)cc1
InChIInChI=1S/C11H9FO2/c12-9-5-3-8(4-6-9)10-2-1-7-14-11(10)13/h1,3-7,10H,2H2
InChIKeyIXDISQNLCFVYSJ-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.37
Rot. Bonds1

About 3-(4-fluorophenyl)-3,4-dihydropyran-2-one

3-(4-fluorophenyl)-3,4-dihydropyran-2-one (PubChem CID 141270392) has the molecular formula C11H9FO2 and a molecular weight of 192.19 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3,4-dihydropyran-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3,4-dihydropyran-2-one
PubChem CID141270392
Molecular FormulaC11H9FO2
Molecular Weight192.19 g/mol
Exact Mass192.06
IUPAC Name3-(4-fluorophenyl)-3,4-dihydropyran-2-one
SMILESO=C1OC=CCC1c1ccc(F)cc1
InChIInChI=1S/C11H9FO2/c12-9-5-3-8(4-6-9)10-2-1-7-14-11(10)13/h1,3-7,10H,2H2
InChIKeyIXDISQNLCFVYSJ-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3,4-dihydropyran-2-one?
The IUPAC name of 3-(4-fluorophenyl)-3,4-dihydropyran-2-one (CID 141270392) is 3-(4-fluorophenyl)-3,4-dihydropyran-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-3,4-dihydropyran-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-3,4-dihydropyran-2-one is O=C1OC=CCC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3,4-dihydropyran-2-one?
The InChIKey is IXDISQNLCFVYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO2/c12-9-5-3-8(4-6-9)10-2-1-7-14-11(10)13/h1,3-7,10H,2H2.
What are the key properties of 3-(4-fluorophenyl)-3,4-dihydropyran-2-one?
3-(4-fluorophenyl)-3,4-dihydropyran-2-one has a molecular weight of 192.19 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3,4-dihydropyran-2-one is sourced from PubChem (CID 141270392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).