2-(2,4-difluorophenoxy)-2-methylpropanenitrile

C10H9F2NO — CID 57467467

IUPAC2-(2,4-difluorophenoxy)-2-methylpropanenitrile
SMILESCC(C)(C#N)Oc1ccc(F)cc1F
InChIInChI=1S/C10H9F2NO/c1-10(2,6-13)14-9-4-3-7(11)5-8(9)12/h3-5H,1-2H3
InChIKeyLJOUKSXOUILKGO-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.65
Rot. Bonds2

About 2-(2,4-difluorophenoxy)-2-methylpropanenitrile

2-(2,4-difluorophenoxy)-2-methylpropanenitrile (PubChem CID 57467467) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-2-methylpropanenitrile
PubChem CID57467467
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name2-(2,4-difluorophenoxy)-2-methylpropanenitrile
SMILESCC(C)(C#N)Oc1ccc(F)cc1F
InChIInChI=1S/C10H9F2NO/c1-10(2,6-13)14-9-4-3-7(11)5-8(9)12/h3-5H,1-2H3
InChIKeyLJOUKSXOUILKGO-UHFFFAOYSA-N
XLogP2.65
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-difluorophenoxy)-2-methylpropanenitrile 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

2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane
CID 144811143
2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile
CID 64727389
tert-butyl-(2,4-difluorophenoxy)-dimethylsilane
CID 14811687
5-(2,4-difluorophenoxy)pentanenitrile
CID 60772052
4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
CID 79360243
ethyl N-cyano-2-(2,4-difluorophenoxy)-2-methylpropanimidate
CID 87441232
1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene
CID 130313798
4-(2-bromo-4-fluorophenoxy)-2,2-dimethylbutanenitrile
CID 65253440
2-(2-butoxy-4-fluorophenyl)-2-methylpropanenitrile
CID 118612758
2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile
CID 115128962
2-(2,4-difluorophenyl)-2-methylbutanenitrile
CID 117047762
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-2-methylpropanenitrile?
The IUPAC name of 2-(2,4-difluorophenoxy)-2-methylpropanenitrile (CID 57467467) is 2-(2,4-difluorophenoxy)-2-methylpropanenitrile.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-2-methylpropanenitrile?
The canonical SMILES for 2-(2,4-difluorophenoxy)-2-methylpropanenitrile is CC(C)(C#N)Oc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenoxy)-2-methylpropanenitrile?
The InChIKey is LJOUKSXOUILKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-10(2,6-13)14-9-4-3-7(11)5-8(9)12/h3-5H,1-2H3.
What are the key properties of 2-(2,4-difluorophenoxy)-2-methylpropanenitrile?
2-(2,4-difluorophenoxy)-2-methylpropanenitrile has a molecular weight of 197.18 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-2-methylpropanenitrile is sourced from PubChem (CID 57467467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).