1-(2-fluoroethyl)piperidine-4-carbonitrile

C8H13FN2 — CID 80602210

IUPAC1-(2-fluoroethyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CCF)CC1
InChIInChI=1S/C8H13FN2/c9-3-6-11-4-1-8(7-10)2-5-11/h8H,1-6H2
InChIKeyADBBHLHFROVCMX-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.19
Rot. Bonds2

About 1-(2-fluoroethyl)piperidine-4-carbonitrile

1-(2-fluoroethyl)piperidine-4-carbonitrile (PubChem CID 80602210) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 1-(2-fluoroethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-fluoroethyl)piperidine-4-carbonitrile
PubChem CID80602210
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name1-(2-fluoroethyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CCF)CC1
InChIInChI=1S/C8H13FN2/c9-3-6-11-4-1-8(7-10)2-5-11/h8H,1-6H2
InChIKeyADBBHLHFROVCMX-UHFFFAOYSA-N
XLogP1.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-fluoroethyl)piperidine-4-carbonitrile (CID 80602210) is 1-(2-fluoroethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-fluoroethyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-fluoroethyl)piperidine-4-carbonitrile is N#CC1CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)piperidine-4-carbonitrile?
The InChIKey is ADBBHLHFROVCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c9-3-6-11-4-1-8(7-10)2-5-11/h8H,1-6H2.
What are the key properties of 1-(2-fluoroethyl)piperidine-4-carbonitrile?
1-(2-fluoroethyl)piperidine-4-carbonitrile has a molecular weight of 156.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 80602210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).