2-(2,3-difluoroanilino)-5-fluorobenzonitrile

C13H7F3N2 — CID 55233913

IUPAC2-(2,3-difluoroanilino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1cccc(F)c1F
InChIInChI=1S/C13H7F3N2/c14-9-4-5-11(8(6-9)7-17)18-12-3-1-2-10(15)13(12)16/h1-6,18H
InChIKeyCRTILFAJINMRKX-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.72
Rot. Bonds2

About 2-(2,3-difluoroanilino)-5-fluorobenzonitrile

2-(2,3-difluoroanilino)-5-fluorobenzonitrile (PubChem CID 55233913) has the molecular formula C13H7F3N2 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-(2,3-difluoroanilino)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2,3-difluoroanilino)-5-fluorobenzonitrile
PubChem CID55233913
Molecular FormulaC13H7F3N2
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-(2,3-difluoroanilino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1cccc(F)c1F
InChIInChI=1S/C13H7F3N2/c14-9-4-5-11(8(6-9)7-17)18-12-3-1-2-10(15)13(12)16/h1-6,18H
InChIKeyCRTILFAJINMRKX-UHFFFAOYSA-N
XLogP3.72
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile
CID 63667348
2-(2-bromoanilino)-5-fluorobenzonitrile
CID 55232513
5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile
CID 107644805
4-chloro-2-(2,3-difluoroanilino)benzonitrile
CID 63093409
2-(4-chloro-2-fluoroanilino)-5-fluorobenzonitrile
CID 63669042
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile
CID 79766541
2-(2,4-dichloroanilino)-5-fluorobenzonitrile
CID 63668512
N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide
CID 75499452
5-chloro-2-(2,3,4-trifluoroanilino)benzonitrile
CID 55078330
5-fluoro-2-(5-fluoro-2-methylanilino)benzonitrile
CID 63667159
2-(3,4-difluoroanilino)-5-fluorobenzonitrile
CID 63668514

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoroanilino)-5-fluorobenzonitrile?
The IUPAC name of 2-(2,3-difluoroanilino)-5-fluorobenzonitrile (CID 55233913) is 2-(2,3-difluoroanilino)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(2,3-difluoroanilino)-5-fluorobenzonitrile?
The canonical SMILES for 2-(2,3-difluoroanilino)-5-fluorobenzonitrile is N#Cc1cc(F)ccc1Nc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluoroanilino)-5-fluorobenzonitrile?
The InChIKey is CRTILFAJINMRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2/c14-9-4-5-11(8(6-9)7-17)18-12-3-1-2-10(15)13(12)16/h1-6,18H.
What are the key properties of 2-(2,3-difluoroanilino)-5-fluorobenzonitrile?
2-(2,3-difluoroanilino)-5-fluorobenzonitrile has a molecular weight of 248.21 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoroanilino)-5-fluorobenzonitrile is sourced from PubChem (CID 55233913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).