2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone

C14H18FNO3 — CID 103535755

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
SMILESCOC1CN(CC(=O)c2ccccc2F)CC1OC
InChIInChI=1S/C14H18FNO3/c1-18-13-8-16(9-14(13)19-2)7-12(17)10-5-3-4-6-11(10)15/h3-6,13-14H,7-9H2,1-2H3
InChIKeyVOBAGKQIIJDCLT-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.35
Rot. Bonds5

About 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone

2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone (PubChem CID 103535755) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
PubChem CID103535755
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
SMILESCOC1CN(CC(=O)c2ccccc2F)CC1OC
InChIInChI=1S/C14H18FNO3/c1-18-13-8-16(9-14(13)19-2)7-12(17)10-5-3-4-6-11(10)15/h3-6,13-14H,7-9H2,1-2H3
InChIKeyVOBAGKQIIJDCLT-UHFFFAOYSA-N
XLogP1.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66393870
1-(2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973305
1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984
1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 62025530
2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62069531
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 103535673
1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79506746
1-(2,5-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102960397
2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62037679
1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63623184
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 103535688
4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512277

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone (CID 103535755) is 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone is COC1CN(CC(=O)c2ccccc2F)CC1OC.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone?
The InChIKey is VOBAGKQIIJDCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-18-13-8-16(9-14(13)19-2)7-12(17)10-5-3-4-6-11(10)15/h3-6,13-14H,7-9H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone?
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone has a molecular weight of 267.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 103535755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).