2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile

C11H18F2N2 — CID 84681793

IUPAC2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile
SMILESCC(F)(F)CCN1CCCCC1CC#N
InChIInChI=1S/C11H18F2N2/c1-11(12,13)6-9-15-8-3-2-4-10(15)5-7-14/h10H,2-6,8-9H2,1H3
InChIKeyNRBJGWCAVMQADF-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.80
Rot. Bonds4

About 2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile

2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile (PubChem CID 84681793) has the molecular formula C11H18F2N2 and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile
PubChem CID84681793
Molecular FormulaC11H18F2N2
Molecular Weight216.27 g/mol
Exact Mass216.14
IUPAC Name2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile
SMILESCC(F)(F)CCN1CCCCC1CC#N
InChIInChI=1S/C11H18F2N2/c1-11(12,13)6-9-15-8-3-2-4-10(15)5-7-14/h10H,2-6,8-9H2,1H3
InChIKeyNRBJGWCAVMQADF-UHFFFAOYSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile 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

2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine
CID 84685954
2-[1-(3,3-difluorobutyl)azepan-2-yl]ethanamine
CID 84697916
4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251751
5-(2-ethylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 65257728
2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile
CID 106710103
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64566095
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride
CID 119916056
1-(3,3-difluorobutyl)piperidine-3-carbonitrile
CID 84670667
5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83056574
4-[2-(chloromethyl)piperidin-1-yl]butanenitrile
CID 12577372
2-[1-(3,3-difluorobutyl)azetidin-2-yl]acetaldehyde
CID 84663167
2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83062210

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile?
The IUPAC name of 2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile (CID 84681793) is 2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile?
The canonical SMILES for 2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile is CC(F)(F)CCN1CCCCC1CC#N.
What is the InChIKey of 2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile?
The InChIKey is NRBJGWCAVMQADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2/c1-11(12,13)6-9-15-8-3-2-4-10(15)5-7-14/h10H,2-6,8-9H2,1H3.
What are the key properties of 2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile?
2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile has a molecular weight of 216.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile is sourced from PubChem (CID 84681793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).