4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile

C14H7ClF4N2 — CID 107528654

IUPAC4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Nc2cc(F)ccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H7ClF4N2/c15-12-4-2-9(16)5-13(12)21-10-3-1-8(7-20)11(6-10)14(17,18)19/h1-6,21H
InChIKeyZLWCWXZVHITPNO-UHFFFAOYSA-N
MW314.67 g/mol
LogP5.11
Rot. Bonds2

About 4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile

4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile (PubChem CID 107528654) has the molecular formula C14H7ClF4N2 and a molecular weight of 314.67 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile
PubChem CID107528654
Molecular FormulaC14H7ClF4N2
Molecular Weight314.67 g/mol
Exact Mass314.02
IUPAC Name4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Nc2cc(F)ccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H7ClF4N2/c15-12-4-2-9(16)5-13(12)21-10-3-1-8(7-20)11(6-10)14(17,18)19/h1-6,21H
InChIKeyZLWCWXZVHITPNO-UHFFFAOYSA-N
XLogP5.11
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.67
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-2-methylanilino)-2-(trifluoromethyl)benzonitrile
CID 43320684
4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile
CID 135372419
2-chloro-4-(5-fluoro-2-methylanilino)benzonitrile
CID 55194420
4-(3,5-dimethylanilino)-2-(trifluoromethyl)benzonitrile
CID 43320662
4-(hydroxyamino)-2-(trifluoromethyl)benzonitrile
CID 59235207
4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
CID 65485739
4-[(3-bromo-4-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
CID 104778505
4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile
CID 43138526
4-(3-amino-5-methylanilino)-2-(trifluoromethyl)benzonitrile
CID 115980818
4-[1-(2,4-difluorophenyl)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 56583939
4-methyl-2-[4-methyl-3-(trifluoromethyl)anilino]benzonitrile
CID 63511324
4-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
CID 114837184

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile (CID 107528654) is 4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(Nc2cc(F)ccc2Cl)cc1C(F)(F)F.
What is the InChIKey of 4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile?
The InChIKey is ZLWCWXZVHITPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4N2/c15-12-4-2-9(16)5-13(12)21-10-3-1-8(7-20)11(6-10)14(17,18)19/h1-6,21H.
What are the key properties of 4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile?
4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile has a molecular weight of 314.67 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 107528654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).