5-(3,5-difluorophenyl)oxolan-2-one

C10H8F2O2 — CID 103689349

IUPAC5-(3,5-difluorophenyl)oxolan-2-one
SMILESO=C1CCC(c2cc(F)cc(F)c2)O1
InChIInChI=1S/C10H8F2O2/c11-7-3-6(4-8(12)5-7)9-1-2-10(13)14-9/h3-5,9H,1-2H2
InChIKeyRPHGVXGUHIWKNS-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.34
Rot. Bonds1

About 5-(3,5-difluorophenyl)oxolan-2-one

5-(3,5-difluorophenyl)oxolan-2-one (PubChem CID 103689349) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)oxolan-2-one.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)oxolan-2-one
PubChem CID103689349
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name5-(3,5-difluorophenyl)oxolan-2-one
SMILESO=C1CCC(c2cc(F)cc(F)c2)O1
InChIInChI=1S/C10H8F2O2/c11-7-3-6(4-8(12)5-7)9-1-2-10(13)14-9/h3-5,9H,1-2H2
InChIKeyRPHGVXGUHIWKNS-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)oxolan-2-one?
The IUPAC name of 5-(3,5-difluorophenyl)oxolan-2-one (CID 103689349) is 5-(3,5-difluorophenyl)oxolan-2-one.
What is the SMILES notation for 5-(3,5-difluorophenyl)oxolan-2-one?
The canonical SMILES for 5-(3,5-difluorophenyl)oxolan-2-one is O=C1CCC(c2cc(F)cc(F)c2)O1.
What is the InChIKey of 5-(3,5-difluorophenyl)oxolan-2-one?
The InChIKey is RPHGVXGUHIWKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2/c11-7-3-6(4-8(12)5-7)9-1-2-10(13)14-9/h3-5,9H,1-2H2.
What are the key properties of 5-(3,5-difluorophenyl)oxolan-2-one?
5-(3,5-difluorophenyl)oxolan-2-one has a molecular weight of 198.17 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)oxolan-2-one is sourced from PubChem (CID 103689349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).