5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile

C15H11F3N2 — CID 107926853

IUPAC5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile
SMILESCc1ccc(Nc2ccccc2C(F)(F)F)c(C#N)c1
InChIInChI=1S/C15H11F3N2/c1-10-6-7-13(11(8-10)9-19)20-14-5-3-2-4-12(14)15(16,17)18/h2-8,20H,1H3
InChIKeyGMOIWTWOQRSNRB-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.63
Rot. Bonds2

About 5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile

5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile (PubChem CID 107926853) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile.

Molecular Properties

Compound Name5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile
PubChem CID107926853
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile
SMILESCc1ccc(Nc2ccccc2C(F)(F)F)c(C#N)c1
InChIInChI=1S/C15H11F3N2/c1-10-6-7-13(11(8-10)9-19)20-14-5-3-2-4-12(14)15(16,17)18/h2-8,20H,1H3
InChIKeyGMOIWTWOQRSNRB-UHFFFAOYSA-N
XLogP4.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(difluoromethylsulfanyl)anilino]-5-methylbenzonitrile
CID 107926868
2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile
CID 43153539
4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 62879958
2-(2-amino-4-methylanilino)-5-(trifluoromethyl)benzonitrile
CID 115910953
5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile
CID 107928062
4-methyl-2-(trifluoromethyl)benzonitrile
CID 2775597
2-(2,5-dimethylanilino)benzonitrile
CID 11746208
5-methyl-2-(2,3,4,5,6-pentafluoroanilino)benzonitrile
CID 107927707
2-(3,5-dimethylanilino)-5-methylbenzonitrile
CID 107926938
2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile
CID 107927006
N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 125467584
6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile
CID 110383544

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile?
The IUPAC name of 5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile (CID 107926853) is 5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile.
What is the SMILES notation for 5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile?
The canonical SMILES for 5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile is Cc1ccc(Nc2ccccc2C(F)(F)F)c(C#N)c1.
What is the InChIKey of 5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile?
The InChIKey is GMOIWTWOQRSNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2/c1-10-6-7-13(11(8-10)9-19)20-14-5-3-2-4-12(14)15(16,17)18/h2-8,20H,1H3.
What are the key properties of 5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile?
5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile has a molecular weight of 276.26 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile is sourced from PubChem (CID 107926853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).