2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile

C16H19FN2 — CID 78915986

IUPAC2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1N1CCCC1C1CCCC1
InChIInChI=1S/C16H19FN2/c17-14-7-3-8-16(13(14)11-18)19-10-4-9-15(19)12-5-1-2-6-12/h3,7-8,12,15H,1-2,4-6,9-10H2
InChIKeyZZFYFELKVBMABG-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.86
Rot. Bonds2

About 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile

2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile (PubChem CID 78915986) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile
PubChem CID78915986
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1N1CCCC1C1CCCC1
InChIInChI=1S/C16H19FN2/c17-14-7-3-8-16(13(14)11-18)19-10-4-9-15(19)12-5-1-2-6-12/h3,7-8,12,15H,1-2,4-6,9-10H2
InChIKeyZZFYFELKVBMABG-UHFFFAOYSA-N
XLogP3.86
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile 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

(1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol
CID 78940819
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-fluorophenyl]ethanamine
CID 102726773
2-fluoro-6-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]benzonitrile
CID 96534911
2-[4-(1-acetylpiperidin-4-yl)azepan-1-yl]-6-fluorobenzonitrile
CID 154786225
2-(2-cyclopentylpyrrolidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79515430
(2S)-2-[1-(2-cyano-3-fluorophenyl)piperidin-4-yl]azepane-1-carboxamide
CID 95336773
2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-6-fluorobenzonitrile
CID 9025350
4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile
CID 81282970
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine
CID 65320533
2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile
CID 78916048
2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile
CID 94340829
4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile
CID 61064051

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile?
The IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile (CID 78915986) is 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile?
The canonical SMILES for 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile is N#Cc1c(F)cccc1N1CCCC1C1CCCC1.
What is the InChIKey of 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile?
The InChIKey is ZZFYFELKVBMABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c17-14-7-3-8-16(13(14)11-18)19-10-4-9-15(19)12-5-1-2-6-12/h3,7-8,12,15H,1-2,4-6,9-10H2.
What are the key properties of 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile?
2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile has a molecular weight of 258.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile is sourced from PubChem (CID 78915986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).