4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile

C14H8F4N2 — CID 135372419

IUPAC4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile
SMILESN#Cc1ccc(F)cc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H8F4N2/c15-11-4-1-9(8-19)13(7-11)20-12-5-2-10(3-6-12)14(16,17)18/h1-7,20H
InChIKeyGUWYKAFSOYGJEC-UHFFFAOYSA-N
MW280.22 g/mol
LogP4.46
Rot. Bonds2

About 4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile

4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile (PubChem CID 135372419) has the molecular formula C14H8F4N2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile.

Molecular Properties

Compound Name4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile
PubChem CID135372419
Molecular FormulaC14H8F4N2
Molecular Weight280.22 g/mol
Exact Mass280.06
IUPAC Name4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile
SMILESN#Cc1ccc(F)cc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H8F4N2/c15-11-4-1-9(8-19)13(7-11)20-12-5-2-10(3-6-12)14(16,17)18/h1-7,20H
InChIKeyGUWYKAFSOYGJEC-UHFFFAOYSA-N
XLogP4.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile
CID 81296556
2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile
CID 66616777
2-(2-cyclopropyl-4-fluoroanilino)-4-(trifluoromethyl)benzonitrile
CID 155452500
4-(2-chloro-5-fluoroanilino)-2-(trifluoromethyl)benzonitrile
CID 107528654
2-(2,5-difluoroanilino)-4-methylbenzonitrile
CID 62303625
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
2-(4-bromo-3-fluoroanilino)-5-(trifluoromethyl)benzonitrile
CID 65436552
2-methyl-4-[4-(trifluoromethyl)anilino]-1,3-benzoxazole-7-carbonitrile
CID 142503939
4-methyl-2-[4-methyl-3-(trifluoromethyl)anilino]benzonitrile
CID 63511324
2-chloro-4-(5-fluoro-2-methylanilino)benzonitrile
CID 55194420
2-(2-chloro-5-fluorophenyl)-4-(trifluoromethyl)benzonitrile
CID 172915525
2-(3,4-difluoroanilino)-5-fluorobenzonitrile
CID 63668514

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile?
The IUPAC name of 4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile (CID 135372419) is 4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile.
What is the SMILES notation for 4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile?
The canonical SMILES for 4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile is N#Cc1ccc(F)cc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile?
The InChIKey is GUWYKAFSOYGJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2/c15-11-4-1-9(8-19)13(7-11)20-12-5-2-10(3-6-12)14(16,17)18/h1-7,20H.
What are the key properties of 4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile?
4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile has a molecular weight of 280.22 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile is sourced from PubChem (CID 135372419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).