2-(2,4-difluorophenyl)-2-methylbutanenitrile

C11H11F2N — CID 117047762

IUPAC2-(2,4-difluorophenyl)-2-methylbutanenitrile
SMILESCCC(C)(C#N)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2N/c1-3-11(2,7-14)9-5-4-8(12)6-10(9)13/h4-6H,3H2,1-2H3
InChIKeyDPBOUEWUVORICX-UHFFFAOYSA-N
MW195.21 g/mol
LogP3.16
Rot. Bonds2

About 2-(2,4-difluorophenyl)-2-methylbutanenitrile

2-(2,4-difluorophenyl)-2-methylbutanenitrile (PubChem CID 117047762) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-methylbutanenitrile
PubChem CID117047762
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name2-(2,4-difluorophenyl)-2-methylbutanenitrile
SMILESCCC(C)(C#N)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2N/c1-3-11(2,7-14)9-5-4-8(12)6-10(9)13/h4-6H,3H2,1-2H3
InChIKeyDPBOUEWUVORICX-UHFFFAOYSA-N
XLogP3.16
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluoro-2-methylphenyl)-2-methylbutanenitrile
CID 130133632
2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile
CID 117048609
2-(2-fluoro-5-methylphenyl)-2-methylbutanenitrile
CID 130133642
ethane;2-(4-fluorophenyl)-2-methylbutanenitrile
CID 144811138
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
2-(2,4-difluorophenyl)-2-ethylbutanoic acid
CID 64560988
1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839410
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
2-(2,4-difluorophenoxy)-2-methylpropanenitrile
CID 57467467
CID 90172514
CID 90172514
2-(2-butoxy-4-fluorophenyl)-2-methylpropanenitrile
CID 118612758
2-(2-iodophenyl)-2-methylbutanenitrile
CID 117047768

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-methylbutanenitrile?
The IUPAC name of 2-(2,4-difluorophenyl)-2-methylbutanenitrile (CID 117047762) is 2-(2,4-difluorophenyl)-2-methylbutanenitrile.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-methylbutanenitrile?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-methylbutanenitrile is CCC(C)(C#N)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-methylbutanenitrile?
The InChIKey is DPBOUEWUVORICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c1-3-11(2,7-14)9-5-4-8(12)6-10(9)13/h4-6H,3H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-2-methylbutanenitrile?
2-(2,4-difluorophenyl)-2-methylbutanenitrile has a molecular weight of 195.21 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-methylbutanenitrile is sourced from PubChem (CID 117047762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).