1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone

C16H21FN2O — CID 63170198

IUPAC1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(N3CCCC3)C2)c(F)c1
InChIInChI=1S/C16H21FN2O/c1-12(20)13-4-5-16(15(17)10-13)19-9-6-14(11-19)18-7-2-3-8-18/h4-5,10,14H,2-3,6-9,11H2,1H3
InChIKeyGDLUTNCUJGPZCY-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.70
Rot. Bonds3

About 1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone

1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone (PubChem CID 63170198) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone
PubChem CID63170198
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(N3CCCC3)C2)c(F)c1
InChIInChI=1S/C16H21FN2O/c1-12(20)13-4-5-16(15(17)10-13)19-9-6-14(11-19)18-7-2-3-8-18/h4-5,10,14H,2-3,6-9,11H2,1H3
InChIKeyGDLUTNCUJGPZCY-UHFFFAOYSA-N
XLogP2.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]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-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine
CID 78021133
1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone
CID 114237147
3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzaldehyde
CID 63170115
1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone
CID 62091090
4-acetyl-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)benzonitrile
CID 133442890
1-[4-(chloromethyl)-2-fluorophenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 63170129
1-[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanone
CID 66393471
1-[1-[4-(chloromethyl)-2-fluorophenyl]pyrrolidin-3-yl]piperidine
CID 63170307
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid
CID 63170206
1-[4-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-3-fluorophenyl]ethanone
CID 81095824
4-amino-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzoic acid
CID 82796630
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone (CID 63170198) is 1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2CCC(N3CCCC3)C2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone?
The InChIKey is GDLUTNCUJGPZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-12(20)13-4-5-16(15(17)10-13)19-9-6-14(11-19)18-7-2-3-8-18/h4-5,10,14H,2-3,6-9,11H2,1H3.
What are the key properties of 1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone?
1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone has a molecular weight of 276.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 63170198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).