1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile

C8H11F3N2 — CID 62076657

IUPAC1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2/c9-8(10,11)6-13-3-1-7(5-12)2-4-13/h7H,1-4,6H2
InChIKeyYMVHOMSEERJMNJ-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.78
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile

1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile (PubChem CID 62076657) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile
PubChem CID62076657
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2/c9-8(10,11)6-13-3-1-7(5-12)2-4-13/h7H,1-4,6H2
InChIKeyYMVHOMSEERJMNJ-UHFFFAOYSA-N
XLogP1.78
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Trifluoromethyl-piperidine-1-carbonitrile
CID 21864599
4-(4,4-Difluoro-piperidin-1-yl)-butyronitrile
CID 66570738
5-(4,4-Difluoro-piperidin-1-yl)-pentanenitrile
CID 66570740
1-(2-Fluoroethyl)piperidine-4-carbonitrile
CID 80602210
1-Ethyl-4-fluoropiperidine-4-carbonitrile
CID 89409612
4-Fluoro-1-methylpiperidine-4-carbonitrile
CID 89742031
4-Methyl-1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile
CID 103994063
4-(3,3-Difluoropiperidin-1-yl)butanenitrile
CID 116991349
2-(3-Fluoro-4-methylpiperidin-1-yl)acetonitrile
CID 117904745
2-(4-Ethyl-3-fluoropiperidin-1-yl)acetonitrile
CID 117904783
1-(2,2-Dimethylpropyl)-4-fluoropiperidine-4-carbonitrile
CID 117934854
5,5-Difluoro-1-methylpiperidine-3-carbonitrile
CID 118178387

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile (CID 62076657) is 1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile is N#CC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile?
The InChIKey is YMVHOMSEERJMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c9-8(10,11)6-13-3-1-7(5-12)2-4-13/h7H,1-4,6H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile?
1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile has a molecular weight of 192.18 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 62076657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).