4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile

C16H18F2N2 — CID 81282970

IUPAC4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(N2CCCC2C2CCCC2)c(F)c1
InChIInChI=1S/C16H18F2N2/c17-13-8-11(10-19)9-14(18)16(13)20-7-3-6-15(20)12-4-1-2-5-12/h8-9,12,15H,1-7H2
InChIKeyKNYNZWLVTIIQLV-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.00
Rot. Bonds2

About 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile

4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile (PubChem CID 81282970) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile
PubChem CID81282970
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(N2CCCC2C2CCCC2)c(F)c1
InChIInChI=1S/C16H18F2N2/c17-13-8-11(10-19)9-14(18)16(13)20-7-3-6-15(20)12-4-1-2-5-12/h8-9,12,15H,1-7H2
InChIKeyKNYNZWLVTIIQLV-UHFFFAOYSA-N
XLogP4.00
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,5-difluorobenzonitrile
CID 79929567
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3,5-difluoroaniline
CID 54902990
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-difluorobenzonitrile
CID 81283690
1-(4-cyano-2,6-difluorophenyl)azepane-2-carboxylic acid
CID 81294626
4-(2-cyclopentylpyrrolidin-1-yl)benzonitrile
CID 61064051
methyl 1-(4-cyano-2,6-difluorophenyl)piperidine-2-carboxylate
CID 115534551
4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81285524
3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]benzonitrile
CID 133281061
2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorobenzonitrile
CID 78915986
3,5-difluoro-4-(1-oxo-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)benzonitrile
CID 22748336
3,5-difluoro-4-[(3S)-3-hydroxypiperidin-1-yl]benzonitrile
CID 107225503
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)benzonitrile
CID 102816646

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile?
The IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile (CID 81282970) is 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile?
The canonical SMILES for 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile is N#Cc1cc(F)c(N2CCCC2C2CCCC2)c(F)c1.
What is the InChIKey of 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile?
The InChIKey is KNYNZWLVTIIQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c17-13-8-11(10-19)9-14(18)16(13)20-7-3-6-15(20)12-4-1-2-5-12/h8-9,12,15H,1-7H2.
What are the key properties of 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile?
4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile has a molecular weight of 276.33 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile is sourced from PubChem (CID 81282970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).