2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-1-ylethanone

C13H16FNO2 — CID 68563084

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-1-ylethanone
SMILESCOc1cccc(CC(=O)N2CCCC2)c1F
InChIInChI=1S/C13H16FNO2/c1-17-11-6-4-5-10(13(11)14)9-12(16)15-7-2-3-8-15/h4-6H,2-3,7-9H2,1H3
InChIKeyKKNLRFDSUAEVDL-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.00
Rot. Bonds3

About 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-1-ylethanone

2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-1-ylethanone (PubChem CID 68563084) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-1-ylethanone
PubChem CID68563084
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-1-ylethanone
SMILESCOc1cccc(CC(=O)N2CCCC2)c1F
InChIInChI=1S/C13H16FNO2/c1-17-11-6-4-5-10(13(11)14)9-12(16)15-7-2-3-8-15/h4-6H,2-3,7-9H2,1H3
InChIKeyKKNLRFDSUAEVDL-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-1-ylethanone 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 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-1-ylethanone (CID 68563084) is 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-1-ylethanone is COc1cccc(CC(=O)N2CCCC2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is KKNLRFDSUAEVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-11-6-4-5-10(13(11)14)9-12(16)15-7-2-3-8-15/h4-6H,2-3,7-9H2,1H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-1-ylethanone?
2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 237.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 68563084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).