5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile

C13H5F5N2 — CID 107644805

IUPAC5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile
SMILESN#Cc1cc(F)ccc1Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H5F5N2/c14-7-1-2-10(6(3-7)5-19)20-13-11(17)8(15)4-9(16)12(13)18/h1-4,20H
InChIKeyUQXGIHZDSWTVDI-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.00
Rot. Bonds2

About 5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile

5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile (PubChem CID 107644805) has the molecular formula C13H5F5N2 and a molecular weight of 284.19 g/mol. Its IUPAC name is 5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile
PubChem CID107644805
Molecular FormulaC13H5F5N2
Molecular Weight284.19 g/mol
Exact Mass284.04
IUPAC Name5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile
SMILESN#Cc1cc(F)ccc1Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H5F5N2/c14-7-1-2-10(6(3-7)5-19)20-13-11(17)8(15)4-9(16)12(13)18/h1-4,20H
InChIKeyUQXGIHZDSWTVDI-UHFFFAOYSA-N
XLogP4.00
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-difluoroanilino)-5-fluorobenzonitrile
CID 55233913
2-(4-chloro-2-fluoroanilino)-5-fluorobenzonitrile
CID 63669042
2-(3,4-difluoroanilino)-5-fluorobenzonitrile
CID 63668514
2-(4-bromo-2,6-dimethylanilino)-5-fluorobenzonitrile
CID 65468036
5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile
CID 79766541
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
2-(2,4-dichloroanilino)-5-fluorobenzonitrile
CID 63668512
5-fluoro-2-(5-fluoro-2-methylanilino)benzonitrile
CID 63667159
5-methyl-2-(2,3,4,5,6-pentafluoroanilino)benzonitrile
CID 107927707
5-fluoro-2-[(3,4,5-trifluorophenyl)methylamino]benzonitrile
CID 82014691
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile
CID 63667348

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile?
The IUPAC name of 5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile (CID 107644805) is 5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile.
What is the SMILES notation for 5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile?
The canonical SMILES for 5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile is N#Cc1cc(F)ccc1Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile?
The InChIKey is UQXGIHZDSWTVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F5N2/c14-7-1-2-10(6(3-7)5-19)20-13-11(17)8(15)4-9(16)12(13)18/h1-4,20H.
What are the key properties of 5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile?
5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile has a molecular weight of 284.19 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile is sourced from PubChem (CID 107644805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).