1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile

C11H16F2N2 — CID 142602894

IUPAC1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile
SMILESN#CC1(N2CCC(F)(F)CC2)CCCC1
InChIInChI=1S/C11H16F2N2/c12-11(13)5-7-15(8-6-11)10(9-14)3-1-2-4-10/h1-8H2
InChIKeyFZNJHEQTHFGIJJ-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.55
Rot. Bonds1

About 1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile

1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile (PubChem CID 142602894) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile
PubChem CID142602894
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile
SMILESN#CC1(N2CCC(F)(F)CC2)CCCC1
InChIInChI=1S/C11H16F2N2/c12-11(13)5-7-15(8-6-11)10(9-14)3-1-2-4-10/h1-8H2
InChIKeyFZNJHEQTHFGIJJ-UHFFFAOYSA-N
XLogP2.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile (CID 142602894) is 1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile is N#CC1(N2CCC(F)(F)CC2)CCCC1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is FZNJHEQTHFGIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c12-11(13)5-7-15(8-6-11)10(9-14)3-1-2-4-10/h1-8H2.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile?
1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 214.26 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 142602894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).