4-(2,3-difluoroanilino)benzonitrile

C13H8F2N2 — CID 61076836

IUPAC4-(2,3-difluoroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2cccc(F)c2F)cc1
InChIInChI=1S/C13H8F2N2/c14-11-2-1-3-12(13(11)15)17-10-6-4-9(8-16)5-7-10/h1-7,17H
InChIKeyNSOZEUPRJCICQG-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.58
Rot. Bonds2

About 4-(2,3-difluoroanilino)benzonitrile

4-(2,3-difluoroanilino)benzonitrile (PubChem CID 61076836) has the molecular formula C13H8F2N2 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-(2,3-difluoroanilino)benzonitrile.

Molecular Properties

Compound Name4-(2,3-difluoroanilino)benzonitrile
PubChem CID61076836
Molecular FormulaC13H8F2N2
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name4-(2,3-difluoroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2cccc(F)c2F)cc1
InChIInChI=1S/C13H8F2N2/c14-11-2-1-3-12(13(11)15)17-10-6-4-9(8-16)5-7-10/h1-7,17H
InChIKeyNSOZEUPRJCICQG-UHFFFAOYSA-N
XLogP3.58
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromo-6-fluoroanilino)benzonitrile
CID 107600374
4-(2-amino-6-fluoroanilino)benzonitrile
CID 112740450
4-(3-chloro-2-methylanilino)benzonitrile
CID 29031552
2-(2,3-difluoroanilino)-5-fluorobenzonitrile
CID 55233913
4-(2,3-difluoroanilino)benzoic acid
CID 62230863
4-(2-amino-3-iodoanilino)benzonitrile
CID 57195798
4-chloro-2-(2,3-difluoroanilino)benzonitrile
CID 63093409
2-(4-aminoanilino)-6-fluorobenzonitrile
CID 43580495
2-amino-3-(4-cyanoanilino)benzoic acid
CID 113332473
1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860121
2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile
CID 113295636
4-(2-bromo-4-fluoroanilino)benzonitrile
CID 28939526

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluoroanilino)benzonitrile?
The IUPAC name of 4-(2,3-difluoroanilino)benzonitrile (CID 61076836) is 4-(2,3-difluoroanilino)benzonitrile.
What is the SMILES notation for 4-(2,3-difluoroanilino)benzonitrile?
The canonical SMILES for 4-(2,3-difluoroanilino)benzonitrile is N#Cc1ccc(Nc2cccc(F)c2F)cc1.
What is the InChIKey of 4-(2,3-difluoroanilino)benzonitrile?
The InChIKey is NSOZEUPRJCICQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2/c14-11-2-1-3-12(13(11)15)17-10-6-4-9(8-16)5-7-10/h1-7,17H.
What are the key properties of 4-(2,3-difluoroanilino)benzonitrile?
4-(2,3-difluoroanilino)benzonitrile has a molecular weight of 230.22 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluoroanilino)benzonitrile is sourced from PubChem (CID 61076836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).