4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile

C15H11F3N2O — CID 63511232

IUPAC4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile
SMILESCc1ccc(C#N)c(Nc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O/c1-10-6-7-11(9-19)13(8-10)20-12-4-2-3-5-14(12)21-15(16,17)18/h2-8,20H,1H3
InChIKeyFKDPASJTPSWGEL-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.51
Rot. Bonds3

About 4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile

4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile (PubChem CID 63511232) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile.

Molecular Properties

Compound Name4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile
PubChem CID63511232
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile
SMILESCc1ccc(C#N)c(Nc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O/c1-10-6-7-11(9-19)13(8-10)20-12-4-2-3-5-14(12)21-15(16,17)18/h2-8,20H,1H3
InChIKeyFKDPASJTPSWGEL-UHFFFAOYSA-N
XLogP4.51
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[3-(trifluoromethoxy)anilino]benzonitrile
CID 63510416
4-methyl-2-(2-methylanilino)benzonitrile
CID 62302441
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile
CID 60922508
2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile
CID 55056695
2-(2,5-dimethylanilino)benzonitrile
CID 11746208
3-bromo-4-[2-(trifluoromethoxy)anilino]benzonitrile
CID 82785825
2-(2,5-difluoroanilino)-4-methylbenzonitrile
CID 62303625
2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile
CID 63510091
5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile
CID 107926853
2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile
CID 63510593
4-methyl-2-[4-methyl-3-(trifluoromethyl)anilino]benzonitrile
CID 63511324

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile?
The IUPAC name of 4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile (CID 63511232) is 4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile.
What is the SMILES notation for 4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile?
The canonical SMILES for 4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile is Cc1ccc(C#N)c(Nc2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile?
The InChIKey is FKDPASJTPSWGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-10-6-7-11(9-19)13(8-10)20-12-4-2-3-5-14(12)21-15(16,17)18/h2-8,20H,1H3.
What are the key properties of 4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile?
4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile has a molecular weight of 292.26 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile is sourced from PubChem (CID 63511232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).