2-(3,4-difluoroanilino)-5-fluorobenzonitrile

C13H7F3N2 — CID 63668514

IUPAC2-(3,4-difluoroanilino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H7F3N2/c14-9-1-4-13(8(5-9)7-17)18-10-2-3-11(15)12(16)6-10/h1-6,18H
InChIKeyDEWCJJDICCNKMD-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.72
Rot. Bonds2

About 2-(3,4-difluoroanilino)-5-fluorobenzonitrile

2-(3,4-difluoroanilino)-5-fluorobenzonitrile (PubChem CID 63668514) has the molecular formula C13H7F3N2 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)-5-fluorobenzonitrile
PubChem CID63668514
Molecular FormulaC13H7F3N2
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-(3,4-difluoroanilino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H7F3N2/c14-9-1-4-13(8(5-9)7-17)18-10-2-3-11(15)12(16)6-10/h1-6,18H
InChIKeyDEWCJJDICCNKMD-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

2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile
CID 62492574
2-(4-chloro-2-fluoroanilino)-5-fluorobenzonitrile
CID 63669042
5-(2-amino-4-fluoroanilino)-2-fluorobenzonitrile
CID 62318209
2-(2,4-dichloroanilino)-5-fluorobenzonitrile
CID 63668512
5-chloro-2-(3-fluoro-4-methylanilino)benzonitrile
CID 63512248
5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile
CID 107644805
5-(4-bromo-2-cyanoanilino)-2-fluorobenzonitrile
CID 114890634
2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile
CID 55231919
5-(2-cyano-4-fluoroanilino)-2-methylbenzoic acid
CID 63674787
2-amino-4-(2-cyano-4-fluoroanilino)benzenesulfonamide
CID 82015079
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)-5-fluorobenzonitrile?
The IUPAC name of 2-(3,4-difluoroanilino)-5-fluorobenzonitrile (CID 63668514) is 2-(3,4-difluoroanilino)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(3,4-difluoroanilino)-5-fluorobenzonitrile?
The canonical SMILES for 2-(3,4-difluoroanilino)-5-fluorobenzonitrile is N#Cc1cc(F)ccc1Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluoroanilino)-5-fluorobenzonitrile?
The InChIKey is DEWCJJDICCNKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2/c14-9-1-4-13(8(5-9)7-17)18-10-2-3-11(15)12(16)6-10/h1-6,18H.
What are the key properties of 2-(3,4-difluoroanilino)-5-fluorobenzonitrile?
2-(3,4-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-(3,4-difluoroanilino)-5-fluorobenzonitrile is sourced from PubChem (CID 63668514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).