2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile

C14H7Cl2F3N2 — CID 65467469

IUPAC2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H7Cl2F3N2/c15-10-2-1-3-11(16)13(10)21-12-5-4-9(14(17,18)19)6-8(12)7-20/h1-6,21H
InChIKeyQBTKACNCBHCESD-UHFFFAOYSA-N
MW331.12 g/mol
LogP5.63
Rot. Bonds2

About 2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile

2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile (PubChem CID 65467469) has the molecular formula C14H7Cl2F3N2 and a molecular weight of 331.12 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile
PubChem CID65467469
Molecular FormulaC14H7Cl2F3N2
Molecular Weight331.12 g/mol
Exact Mass329.99
IUPAC Name2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H7Cl2F3N2/c15-10-2-1-3-11(16)13(10)21-12-5-4-9(14(17,18)19)6-8(12)7-20/h1-6,21H
InChIKeyQBTKACNCBHCESD-UHFFFAOYSA-N
XLogP5.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.12
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile
CID 43331086
2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile
CID 43331039
2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile
CID 43153539
2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile
CID 89304215
2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile
CID 107533775
2-(4-amino-2-iodoanilino)-5-(trifluoromethyl)benzonitrile
CID 115910956
2-(2-amino-4-methylanilino)-5-(trifluoromethyl)benzonitrile
CID 115910953
2-(4-bromo-3-fluoroanilino)-5-(trifluoromethyl)benzonitrile
CID 65436552
2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile
CID 43555845
1-N-(2-chloro-6-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 66253362
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826
2-(2-amino-5-bromoanilino)-5-(trifluoromethyl)benzonitrile
CID 115910960

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile (CID 65467469) is 2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile is N#Cc1cc(C(F)(F)F)ccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile?
The InChIKey is QBTKACNCBHCESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N2/c15-10-2-1-3-11(16)13(10)21-12-5-4-9(14(17,18)19)6-8(12)7-20/h1-6,21H.
What are the key properties of 2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile?
2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile has a molecular weight of 331.12 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 65467469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).