2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile

C13H14F2N2 — CID 63667086

IUPAC2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile
SMILESN#CC(c1cccc(F)c1F)N1CCCCC1
InChIInChI=1S/C13H14F2N2/c14-11-6-4-5-10(13(11)15)12(9-16)17-7-2-1-3-8-17/h4-6,12H,1-3,7-8H2
InChIKeyQJPXOCXHQYFPQZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.02
Rot. Bonds2

About 2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile

2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile (PubChem CID 63667086) has the molecular formula C13H14F2N2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile
PubChem CID63667086
Molecular FormulaC13H14F2N2
Molecular Weight236.27 g/mol
Exact Mass236.11
IUPAC Name2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile
SMILESN#CC(c1cccc(F)c1F)N1CCCCC1
InChIInChI=1S/C13H14F2N2/c14-11-6-4-5-10(13(11)15)12(9-16)17-7-2-1-3-8-17/h4-6,12H,1-3,7-8H2
InChIKeyQJPXOCXHQYFPQZ-UHFFFAOYSA-N
XLogP3.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile?
The IUPAC name of 2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile (CID 63667086) is 2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile.
What is the SMILES notation for 2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile?
The canonical SMILES for 2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile is N#CC(c1cccc(F)c1F)N1CCCCC1.
What is the InChIKey of 2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile?
The InChIKey is QJPXOCXHQYFPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c14-11-6-4-5-10(13(11)15)12(9-16)17-7-2-1-3-8-17/h4-6,12H,1-3,7-8H2.
What are the key properties of 2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile?
2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile has a molecular weight of 236.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-2-piperidin-1-ylacetonitrile is sourced from PubChem (CID 63667086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).