2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone

C13H16FNO — CID 116572487

IUPAC2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
SMILESCC1CNCC1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-9-7-15-8-12(9)13(16)6-10-2-4-11(14)5-3-10/h2-5,9,12,15H,6-8H2,1H3
InChIKeySNAWASLNVBKLTE-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.79
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone

2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone (PubChem CID 116572487) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
PubChem CID116572487
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
SMILESCC1CNCC1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-9-7-15-8-12(9)13(16)6-10-2-4-11(14)5-3-10/h2-5,9,12,15H,6-8H2,1H3
InChIKeySNAWASLNVBKLTE-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572464
1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenyl)ethanone;ethane
CID 145332468
2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
CID 159213870
2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572657
2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572587
1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116572594
1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone
CID 61080285
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81349399
1-(4-methylpyrrolidin-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116572647
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121972
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121974
1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116572640

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone (CID 116572487) is 2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone is CC1CNCC1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone?
The InChIKey is SNAWASLNVBKLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9-7-15-8-12(9)13(16)6-10-2-4-11(14)5-3-10/h2-5,9,12,15H,6-8H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone?
2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone has a molecular weight of 221.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 116572487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).