2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile

C11H11F3N2 — CID 81281823

IUPAC2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile
SMILESCc1cc(N(C)CC(F)(F)F)ccc1C#N
InChIInChI=1S/C11H11F3N2/c1-8-5-10(4-3-9(8)6-15)16(2)7-11(12,13)14/h3-5H,7H2,1-2H3
InChIKeyVCHPKLKLXUHCSZ-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.87
Rot. Bonds2

About 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile

2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile (PubChem CID 81281823) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile
PubChem CID81281823
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile
SMILESCc1cc(N(C)CC(F)(F)F)ccc1C#N
InChIInChI=1S/C11H11F3N2/c1-8-5-10(4-3-9(8)6-15)16(2)7-11(12,13)14/h3-5H,7H2,1-2H3
InChIKeyVCHPKLKLXUHCSZ-UHFFFAOYSA-N
XLogP2.87
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile 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

4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylbenzonitrile
CID 107479609
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile;4-[methyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 162220380
2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide
CID 81282642
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]benzonitrile
CID 81281924
2-methyl-4-[methyl(2-methylsulfonylethyl)amino]benzonitrile
CID 81282010
4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257768
4-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylbenzonitrile
CID 114949288
ethyl 2-(4-cyano-N,3-dimethylanilino)acetate
CID 81275854
3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257757
2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzonitrile
CID 81282821
2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile
CID 81281986
4-(2-aminobutyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63795900

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile?
The IUPAC name of 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile (CID 81281823) is 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile.
What is the SMILES notation for 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile?
The canonical SMILES for 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile is Cc1cc(N(C)CC(F)(F)F)ccc1C#N.
What is the InChIKey of 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile?
The InChIKey is VCHPKLKLXUHCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-8-5-10(4-3-9(8)6-15)16(2)7-11(12,13)14/h3-5H,7H2,1-2H3.
What are the key properties of 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile?
2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile has a molecular weight of 228.22 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile is sourced from PubChem (CID 81281823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).