4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile

C14H9F3N2O — CID 81306553

IUPAC4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile
SMILESCOc1ccc(C#N)c(Nc2c(F)cc(F)cc2F)c1
InChIInChI=1S/C14H9F3N2O/c1-20-10-3-2-8(7-18)13(6-10)19-14-11(16)4-9(15)5-12(14)17/h2-6,19H,1H3
InChIKeyTXEHBMGQZKTSIL-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.73
Rot. Bonds3

About 4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile

4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile (PubChem CID 81306553) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile.

Molecular Properties

Compound Name4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile
PubChem CID81306553
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile
SMILESCOc1ccc(C#N)c(Nc2c(F)cc(F)cc2F)c1
InChIInChI=1S/C14H9F3N2O/c1-20-10-3-2-8(7-18)13(6-10)19-14-11(16)4-9(15)5-12(14)17/h2-6,19H,1H3
InChIKeyTXEHBMGQZKTSIL-UHFFFAOYSA-N
XLogP3.73
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2-(2,4,6-trifluoroanilino)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

2-(3,5-difluoroanilino)-4-methoxybenzonitrile
CID 81300164
2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile
CID 82016657
2-(3-fluoro-4-methylanilino)-4-methoxybenzonitrile
CID 81299578
2-(2-fluoro-5-methoxyanilino)-3-methylbenzonitrile
CID 107107062
4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile
CID 81296556
2-[(2,5-difluorophenyl)methylamino]-4-methoxybenzonitrile
CID 81306790
4-bromo-2-(2-bromo-4,6-difluoroanilino)benzonitrile
CID 114901411
2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile
CID 83016723
2-(ethylamino)-4-methoxybenzonitrile
CID 14388672
2-[2-(difluoromethylsulfanyl)anilino]-4-methoxybenzonitrile
CID 81296342
2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile
CID 107927648
4-[(2-cyano-5-methoxyanilino)methyl]-3-fluorobenzonitrile
CID 81297290

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile?
The IUPAC name of 4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile (CID 81306553) is 4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile.
What is the SMILES notation for 4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile?
The canonical SMILES for 4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile is COc1ccc(C#N)c(Nc2c(F)cc(F)cc2F)c1.
What is the InChIKey of 4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile?
The InChIKey is TXEHBMGQZKTSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c1-20-10-3-2-8(7-18)13(6-10)19-14-11(16)4-9(15)5-12(14)17/h2-6,19H,1H3.
What are the key properties of 4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile?
4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile has a molecular weight of 278.23 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile is sourced from PubChem (CID 81306553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).