2,4-difluoro-5-piperidin-2-ylbenzonitrile

C12H12F2N2 — CID 117317640

IUPAC2,4-difluoro-5-piperidin-2-ylbenzonitrile
SMILESN#Cc1cc(C2CCCCN2)c(F)cc1F
InChIInChI=1S/C12H12F2N2/c13-10-6-11(14)9(5-8(10)7-15)12-3-1-2-4-16-12/h5-6,12,16H,1-4H2
InChIKeyPXDLUNCPDFGSFT-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.65
Rot. Bonds1

About 2,4-difluoro-5-piperidin-2-ylbenzonitrile

2,4-difluoro-5-piperidin-2-ylbenzonitrile (PubChem CID 117317640) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2,4-difluoro-5-piperidin-2-ylbenzonitrile.

Molecular Properties

Compound Name2,4-difluoro-5-piperidin-2-ylbenzonitrile
PubChem CID117317640
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2,4-difluoro-5-piperidin-2-ylbenzonitrile
SMILESN#Cc1cc(C2CCCCN2)c(F)cc1F
InChIInChI=1S/C12H12F2N2/c13-10-6-11(14)9(5-8(10)7-15)12-3-1-2-4-16-12/h5-6,12,16H,1-4H2
InChIKeyPXDLUNCPDFGSFT-UHFFFAOYSA-N
XLogP2.65
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R)-piperidin-2-yl]furan-3-carbonitrile
CID 130782183
2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperidine
CID 117338941
2-(azepan-2-yl)-4-(trifluoromethyl)benzonitrile
CID 141175039
2-hydroxy-3-[(2S)-piperidin-2-yl]benzonitrile
CID 131554616
4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile
CID 55263705
4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile
CID 131097005
5-hydroxy-2-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 130632788
2-chloro-3-pyrrolidin-2-ylbenzonitrile
CID 130043692
2-(2-fluoro-5-methoxy-4-methylphenyl)piperidine
CID 84789182
2-(5-chloro-2,3-difluorophenyl)piperidine
CID 84795035
7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile
CID 66519501
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-piperidin-2-ylbenzonitrile?
The IUPAC name of 2,4-difluoro-5-piperidin-2-ylbenzonitrile (CID 117317640) is 2,4-difluoro-5-piperidin-2-ylbenzonitrile.
What is the SMILES notation for 2,4-difluoro-5-piperidin-2-ylbenzonitrile?
The canonical SMILES for 2,4-difluoro-5-piperidin-2-ylbenzonitrile is N#Cc1cc(C2CCCCN2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-piperidin-2-ylbenzonitrile?
The InChIKey is PXDLUNCPDFGSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c13-10-6-11(14)9(5-8(10)7-15)12-3-1-2-4-16-12/h5-6,12,16H,1-4H2.
What are the key properties of 2,4-difluoro-5-piperidin-2-ylbenzonitrile?
2,4-difluoro-5-piperidin-2-ylbenzonitrile has a molecular weight of 222.24 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-piperidin-2-ylbenzonitrile is sourced from PubChem (CID 117317640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).