5-(3-fluorophenyl)oxolan-2-one

C10H9FO2 — CID 103689363

IUPAC5-(3-fluorophenyl)oxolan-2-one
SMILESO=C1CCC(c2cccc(F)c2)O1
InChIInChI=1S/C10H9FO2/c11-8-3-1-2-7(6-8)9-4-5-10(12)13-9/h1-3,6,9H,4-5H2
InChIKeyCGIHISUQJPGQJF-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.20
Rot. Bonds1

About 5-(3-fluorophenyl)oxolan-2-one

5-(3-fluorophenyl)oxolan-2-one (PubChem CID 103689363) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 5-(3-fluorophenyl)oxolan-2-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)oxolan-2-one
PubChem CID103689363
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name5-(3-fluorophenyl)oxolan-2-one
SMILESO=C1CCC(c2cccc(F)c2)O1
InChIInChI=1S/C10H9FO2/c11-8-3-1-2-7(6-8)9-4-5-10(12)13-9/h1-3,6,9H,4-5H2
InChIKeyCGIHISUQJPGQJF-UHFFFAOYSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)oxolan-2-one?
The IUPAC name of 5-(3-fluorophenyl)oxolan-2-one (CID 103689363) is 5-(3-fluorophenyl)oxolan-2-one.
What is the SMILES notation for 5-(3-fluorophenyl)oxolan-2-one?
The canonical SMILES for 5-(3-fluorophenyl)oxolan-2-one is O=C1CCC(c2cccc(F)c2)O1.
What is the InChIKey of 5-(3-fluorophenyl)oxolan-2-one?
The InChIKey is CGIHISUQJPGQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-8-3-1-2-7(6-8)9-4-5-10(12)13-9/h1-3,6,9H,4-5H2.
What are the key properties of 5-(3-fluorophenyl)oxolan-2-one?
5-(3-fluorophenyl)oxolan-2-one has a molecular weight of 180.18 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)oxolan-2-one is sourced from PubChem (CID 103689363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).