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

C13H5F5N2 — CID 81283820

IUPAC3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile
SMILESN#Cc1cc(F)c(Nc2ccc(F)c(F)c2F)c(F)c1
InChIInChI=1S/C13H5F5N2/c14-7-1-2-10(12(18)11(7)17)20-13-8(15)3-6(5-19)4-9(13)16/h1-4,20H
InChIKeyYZTBRRHUJBNXHD-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.00
Rot. Bonds2

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

3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile (PubChem CID 81283820) has the molecular formula C13H5F5N2 and a molecular weight of 284.19 g/mol. Its IUPAC name is 3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile
PubChem CID81283820
Molecular FormulaC13H5F5N2
Molecular Weight284.19 g/mol
Exact Mass284.04
IUPAC Name3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile
SMILESN#Cc1cc(F)c(Nc2ccc(F)c(F)c2F)c(F)c1
InChIInChI=1S/C13H5F5N2/c14-7-1-2-10(12(18)11(7)17)20-13-8(15)3-6(5-19)4-9(13)16/h1-4,20H
InChIKeyYZTBRRHUJBNXHD-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_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromo-4-fluoroanilino)-3,5-difluorobenzonitrile
CID 81283463
3,5-difluoro-4-(2-methylanilino)benzonitrile
CID 81283901
4-(4-bromo-2-methylanilino)-3,5-difluorobenzonitrile
CID 81283533
5-chloro-2-(2,3,4-trifluoroanilino)benzonitrile
CID 55078330
4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile
CID 81283320
4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile
CID 81283252
4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile
CID 107933320
5-amino-2-(2,3,4-trifluoroanilino)benzonitrile
CID 61296352
5-nitro-2-(2,3,4-trifluoroanilino)benzonitrile
CID 115500839
N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide
CID 59386353
3-amino-4-(2,6-difluoroanilino)benzonitrile
CID 43518142
4-(4-amino-2,6-difluoroanilino)-3-methoxybenzonitrile
CID 104847878

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile?
The IUPAC name of 3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile (CID 81283820) is 3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile.
What is the SMILES notation for 3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile?
The canonical SMILES for 3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile is N#Cc1cc(F)c(Nc2ccc(F)c(F)c2F)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile?
The InChIKey is YZTBRRHUJBNXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F5N2/c14-7-1-2-10(12(18)11(7)17)20-13-8(15)3-6(5-19)4-9(13)16/h1-4,20H.
What are the key properties of 3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile?
3,5-difluoro-4-(2,3,4-trifluoroanilino)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 3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile is sourced from PubChem (CID 81283820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).