2-(2,4-difluoro-N-methylanilino)propanenitrile

C10H10F2N2 — CID 115130007

IUPAC2-(2,4-difluoro-N-methylanilino)propanenitrile
SMILESCC(C#N)N(C)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2N2/c1-7(6-13)14(2)10-4-3-8(11)5-9(10)12/h3-5,7H,1-2H3
InChIKeyKDUUTZUZSVRRED-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.31
Rot. Bonds2

About 2-(2,4-difluoro-N-methylanilino)propanenitrile

2-(2,4-difluoro-N-methylanilino)propanenitrile (PubChem CID 115130007) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(2,4-difluoro-N-methylanilino)propanenitrile.

Molecular Properties

Compound Name2-(2,4-difluoro-N-methylanilino)propanenitrile
PubChem CID115130007
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name2-(2,4-difluoro-N-methylanilino)propanenitrile
SMILESCC(C#N)N(C)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2N2/c1-7(6-13)14(2)10-4-3-8(11)5-9(10)12/h3-5,7H,1-2H3
InChIKeyKDUUTZUZSVRRED-UHFFFAOYSA-N
XLogP2.31
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile
CID 115129963
2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide
CID 115188569
2-(N,2,4-trimethylanilino)propanenitrile
CID 115129965
3-(2,4-difluoro-N-methylanilino)butanoic acid
CID 82115485
2-(3-chloro-4-fluoro-N-methylanilino)propanenitrile
CID 115130037
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]propanenitrile
CID 55207540
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]-methylamino]acetonitrile
CID 129488563
3-[2-[(1R)-1-aminoethyl]-4-fluoro-N-methylanilino]butanenitrile
CID 63369266
5-fluoro-2-[3-hydroxybutyl(methyl)amino]benzonitrile
CID 115658291
2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol
CID 115251960
3-[(2,5-difluorophenyl)methyl-methylamino]-2-methylpropanenitrile
CID 55148841
2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide
CID 3611810

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-N-methylanilino)propanenitrile?
The IUPAC name of 2-(2,4-difluoro-N-methylanilino)propanenitrile (CID 115130007) is 2-(2,4-difluoro-N-methylanilino)propanenitrile.
What is the SMILES notation for 2-(2,4-difluoro-N-methylanilino)propanenitrile?
The canonical SMILES for 2-(2,4-difluoro-N-methylanilino)propanenitrile is CC(C#N)N(C)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluoro-N-methylanilino)propanenitrile?
The InChIKey is KDUUTZUZSVRRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c1-7(6-13)14(2)10-4-3-8(11)5-9(10)12/h3-5,7H,1-2H3.
What are the key properties of 2-(2,4-difluoro-N-methylanilino)propanenitrile?
2-(2,4-difluoro-N-methylanilino)propanenitrile has a molecular weight of 196.20 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-N-methylanilino)propanenitrile is sourced from PubChem (CID 115130007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).