5-amino-2-(2,3,4-trifluoroanilino)benzonitrile

C13H8F3N3 — CID 61296352

IUPAC5-amino-2-(2,3,4-trifluoroanilino)benzonitrile
SMILESN#Cc1cc(N)ccc1Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H8F3N3/c14-9-2-4-11(13(16)12(9)15)19-10-3-1-8(18)5-7(10)6-17/h1-5,19H,18H2
InChIKeyFTVYRUCGWQRWMF-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.30
Rot. Bonds2

About 5-amino-2-(2,3,4-trifluoroanilino)benzonitrile

5-amino-2-(2,3,4-trifluoroanilino)benzonitrile (PubChem CID 61296352) has the molecular formula C13H8F3N3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 5-amino-2-(2,3,4-trifluoroanilino)benzonitrile.

Molecular Properties

Compound Name5-amino-2-(2,3,4-trifluoroanilino)benzonitrile
PubChem CID61296352
Molecular FormulaC13H8F3N3
Molecular Weight263.22 g/mol
Exact Mass263.07
IUPAC Name5-amino-2-(2,3,4-trifluoroanilino)benzonitrile
SMILESN#Cc1cc(N)ccc1Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H8F3N3/c14-9-2-4-11(13(16)12(9)15)19-10-3-1-8(18)5-7(10)6-17/h1-5,19H,18H2
InChIKeyFTVYRUCGWQRWMF-UHFFFAOYSA-N
XLogP3.30
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(2,3,4-trifluoroanilino)benzonitrile
CID 55078330
5-amino-2-(2,6-difluoro-3-methylanilino)benzonitrile
CID 82815807
5-nitro-2-(2,3,4-trifluoroanilino)benzonitrile
CID 115500839
4-methyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine
CID 62590138
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
2-(4-amino-2-methylanilino)-5-fluorobenzonitrile
CID 82014840
2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile
CID 64914398
2-(2,3-difluoroanilino)-5-fluorobenzonitrile
CID 55233913
3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile
CID 82817204
3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine
CID 43132793
3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile
CID 81283820
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,3,4-trifluoroanilino)benzonitrile?
The IUPAC name of 5-amino-2-(2,3,4-trifluoroanilino)benzonitrile (CID 61296352) is 5-amino-2-(2,3,4-trifluoroanilino)benzonitrile.
What is the SMILES notation for 5-amino-2-(2,3,4-trifluoroanilino)benzonitrile?
The canonical SMILES for 5-amino-2-(2,3,4-trifluoroanilino)benzonitrile is N#Cc1cc(N)ccc1Nc1ccc(F)c(F)c1F.
What is the InChIKey of 5-amino-2-(2,3,4-trifluoroanilino)benzonitrile?
The InChIKey is FTVYRUCGWQRWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3/c14-9-2-4-11(13(16)12(9)15)19-10-3-1-8(18)5-7(10)6-17/h1-5,19H,18H2.
What are the key properties of 5-amino-2-(2,3,4-trifluoroanilino)benzonitrile?
5-amino-2-(2,3,4-trifluoroanilino)benzonitrile has a molecular weight of 263.22 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,3,4-trifluoroanilino)benzonitrile is sourced from PubChem (CID 61296352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).