2-(2-fluoroethyl)piperidine-2-carbonitrile

C8H13FN2 — CID 126980040

IUPAC2-(2-fluoroethyl)piperidine-2-carbonitrile
SMILESN#CC1(CCF)CCCCN1
InChIInChI=1S/C8H13FN2/c9-5-4-8(7-10)3-1-2-6-11-8/h11H,1-6H2
InChIKeySZGUDEMWPMWFGG-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.38
Rot. Bonds2

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

2-(2-fluoroethyl)piperidine-2-carbonitrile (PubChem CID 126980040) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 2-(2-fluoroethyl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name2-(2-fluoroethyl)piperidine-2-carbonitrile
PubChem CID126980040
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name2-(2-fluoroethyl)piperidine-2-carbonitrile
SMILESN#CC1(CCF)CCCCN1
InChIInChI=1S/C8H13FN2/c9-5-4-8(7-10)3-1-2-6-11-8/h11H,1-6H2
InChIKeySZGUDEMWPMWFGG-UHFFFAOYSA-N
XLogP1.38
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxyethyl)piperidine-2-carbonitrile
CID 130542465
2-(3-methylbutyl)piperidine-2-carbonitrile
CID 130542472
2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile
CID 130601880
2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile
CID 131009586
2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile
CID 130550060
2-propan-2-ylpiperidine-2-carbonitrile
CID 84649702
2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile
CID 142577150
(4aR,8aS)-2,3,4,4a,5,6,7,8-octahydro-1H-quinoline-8a-carbonitrile
CID 131005908
4-azaspiro[2.5]octane
CID 20522183
2-ethenyl-2-propylazepane
CID 79116609
2,2-difluoro-5-azaspiro[3.5]nonane
CID 155892857
2-cyclopropylpyrrolidine-2-carbonitrile
CID 90115241

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)piperidine-2-carbonitrile?
The IUPAC name of 2-(2-fluoroethyl)piperidine-2-carbonitrile (CID 126980040) is 2-(2-fluoroethyl)piperidine-2-carbonitrile.
What is the SMILES notation for 2-(2-fluoroethyl)piperidine-2-carbonitrile?
The canonical SMILES for 2-(2-fluoroethyl)piperidine-2-carbonitrile is N#CC1(CCF)CCCCN1.
What is the InChIKey of 2-(2-fluoroethyl)piperidine-2-carbonitrile?
The InChIKey is SZGUDEMWPMWFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c9-5-4-8(7-10)3-1-2-6-11-8/h11H,1-6H2.
What are the key properties of 2-(2-fluoroethyl)piperidine-2-carbonitrile?
2-(2-fluoroethyl)piperidine-2-carbonitrile has a molecular weight of 156.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)piperidine-2-carbonitrile is sourced from PubChem (CID 126980040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).