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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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).