2-(2,6-difluorophenyl)-2-methylbutanedinitrile

C11H8F2N2 — CID 117049545

IUPAC2-(2,6-difluorophenyl)-2-methylbutanedinitrile
SMILESCC(C#N)(CC#N)c1c(F)cccc1F
InChIInChI=1S/C11H8F2N2/c1-11(7-15,5-6-14)10-8(12)3-2-4-9(10)13/h2-4H,5H2,1H3
InChIKeyHGYGNDIJEITUMR-UHFFFAOYSA-N
MW206.19 g/mol
LogP2.66
Rot. Bonds2

About 2-(2,6-difluorophenyl)-2-methylbutanedinitrile

2-(2,6-difluorophenyl)-2-methylbutanedinitrile (PubChem CID 117049545) has the molecular formula C11H8F2N2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-2-methylbutanedinitrile.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-2-methylbutanedinitrile
PubChem CID117049545
Molecular FormulaC11H8F2N2
Molecular Weight206.19 g/mol
Exact Mass206.07
IUPAC Name2-(2,6-difluorophenyl)-2-methylbutanedinitrile
SMILESCC(C#N)(CC#N)c1c(F)cccc1F
InChIInChI=1S/C11H8F2N2/c1-11(7-15,5-6-14)10-8(12)3-2-4-9(10)13/h2-4H,5H2,1H3
InChIKeyHGYGNDIJEITUMR-UHFFFAOYSA-N
XLogP2.66
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-3-(2-fluorophenyl)propanenitrile
CID 83855469
1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene
CID 168948597
3-(3-fluorophenoxy)-3-methylbutanenitrile
CID 82075815
2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile
CID 117048637
2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile
CID 126987057
2-(2,6-dichlorophenyl)-2-methylpent-4-enenitrile
CID 117049272
2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 28702608
tris[2-(2,6-difluorophenyl)propan-2-yloxy] borate
CID 171472562
2-(2,4-difluorophenyl)-2-methylbutanenitrile
CID 117047762
2-(2,6-difluorophenyl)hex-5-en-2-ol
CID 104656171
3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile
CID 82140436
2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile
CID 84771971

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-2-methylbutanedinitrile?
The IUPAC name of 2-(2,6-difluorophenyl)-2-methylbutanedinitrile (CID 117049545) is 2-(2,6-difluorophenyl)-2-methylbutanedinitrile.
What is the SMILES notation for 2-(2,6-difluorophenyl)-2-methylbutanedinitrile?
The canonical SMILES for 2-(2,6-difluorophenyl)-2-methylbutanedinitrile is CC(C#N)(CC#N)c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-2-methylbutanedinitrile?
The InChIKey is HGYGNDIJEITUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2/c1-11(7-15,5-6-14)10-8(12)3-2-4-9(10)13/h2-4H,5H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-2-methylbutanedinitrile?
2-(2,6-difluorophenyl)-2-methylbutanedinitrile has a molecular weight of 206.19 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-2-methylbutanedinitrile is sourced from PubChem (CID 117049545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).