4-[(4-fluorophenyl)methyl]-2-methyloxolan-3-one

C12H13FO2 — CID 19375890

IUPAC4-[(4-fluorophenyl)methyl]-2-methyloxolan-3-one
SMILESCC1OCC(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C12H13FO2/c1-8-12(14)10(7-15-8)6-9-2-4-11(13)5-3-9/h2-5,8,10H,6-7H2,1H3
InChIKeyWXAGRIRVOJSENI-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.97
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]-2-methyloxolan-3-one

4-[(4-fluorophenyl)methyl]-2-methyloxolan-3-one (PubChem CID 19375890) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-methyloxolan-3-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-methyloxolan-3-one
PubChem CID19375890
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name4-[(4-fluorophenyl)methyl]-2-methyloxolan-3-one
SMILESCC1OCC(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C12H13FO2/c1-8-12(14)10(7-15-8)6-9-2-4-11(13)5-3-9/h2-5,8,10H,6-7H2,1H3
InChIKeyWXAGRIRVOJSENI-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(4-fluorophenyl)methyl]-2-methyloxolan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2-methyloxolan-3-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-methyloxolan-3-one (CID 19375890) is 4-[(4-fluorophenyl)methyl]-2-methyloxolan-3-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-methyloxolan-3-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-methyloxolan-3-one is CC1OCC(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-methyloxolan-3-one?
The InChIKey is WXAGRIRVOJSENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-8-12(14)10(7-15-8)6-9-2-4-11(13)5-3-9/h2-5,8,10H,6-7H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-methyloxolan-3-one?
4-[(4-fluorophenyl)methyl]-2-methyloxolan-3-one has a molecular weight of 208.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2-methyloxolan-3-one is sourced from PubChem (CID 19375890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).