1-ethyl-5,5-difluoropiperidine-3-carbonitrile

C8H12F2N2 — CID 118178664

IUPAC1-ethyl-5,5-difluoropiperidine-3-carbonitrile
SMILESCCN1CC(C#N)CC(F)(F)C1
InChIInChI=1S/C8H12F2N2/c1-2-12-5-7(4-11)3-8(9,10)6-12/h7H,2-3,5-6H2,1H3
InChIKeyVKJNCGLHJWSPLD-UHFFFAOYSA-N
MW174.19 g/mol
LogP1.49
Rot. Bonds1

About 1-ethyl-5,5-difluoropiperidine-3-carbonitrile

1-ethyl-5,5-difluoropiperidine-3-carbonitrile (PubChem CID 118178664) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 1-ethyl-5,5-difluoropiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-5,5-difluoropiperidine-3-carbonitrile
PubChem CID118178664
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name1-ethyl-5,5-difluoropiperidine-3-carbonitrile
SMILESCCN1CC(C#N)CC(F)(F)C1
InChIInChI=1S/C8H12F2N2/c1-2-12-5-7(4-11)3-8(9,10)6-12/h7H,2-3,5-6H2,1H3
InChIKeyVKJNCGLHJWSPLD-UHFFFAOYSA-N
XLogP1.49
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-5,5-difluoropiperidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methylpiperidine-3-carbonitrile
CID 18941139
2-(1-Methylpiperidin-4-yl)propanedinitrile
CID 58855
4,4-Difluoro-1-(4-methylpentyl)piperidine
CID 20811829
(3S)-1-(2,2-difluoroethyl)-3-methylpiperidine
CID 57640120
3,3-Difluoro-1-(4-methylpentyl)piperidine
CID 58664922
1-(2,2,2-Trifluoroethyl)piperidine-4-carbonitrile
CID 62076657
4-(4,4-Difluoro-piperidin-1-yl)-butyronitrile
CID 66570738
5-(4,4-Difluoro-piperidin-1-yl)-pentanenitrile
CID 66570740
(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 66580938
(3S)-3-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 68267588
1-Propyl-3-(trifluoromethyl)piperidine
CID 69929215
1-(2,2-Difluoroethyl)-3-methylpiperidine
CID 76573077

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,5-difluoropiperidine-3-carbonitrile?
The IUPAC name of 1-ethyl-5,5-difluoropiperidine-3-carbonitrile (CID 118178664) is 1-ethyl-5,5-difluoropiperidine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-5,5-difluoropiperidine-3-carbonitrile?
The canonical SMILES for 1-ethyl-5,5-difluoropiperidine-3-carbonitrile is CCN1CC(C#N)CC(F)(F)C1.
What is the InChIKey of 1-ethyl-5,5-difluoropiperidine-3-carbonitrile?
The InChIKey is VKJNCGLHJWSPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-2-12-5-7(4-11)3-8(9,10)6-12/h7H,2-3,5-6H2,1H3.
What are the key properties of 1-ethyl-5,5-difluoropiperidine-3-carbonitrile?
1-ethyl-5,5-difluoropiperidine-3-carbonitrile has a molecular weight of 174.19 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,5-difluoropiperidine-3-carbonitrile is sourced from PubChem (CID 118178664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).