3-fluoro-4-(3-fluoroanilino)benzonitrile

C13H8F2N2 — CID 43657175

IUPAC3-fluoro-4-(3-fluoroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2cccc(F)c2)c(F)c1
InChIInChI=1S/C13H8F2N2/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-7,17H
InChIKeyYNIZVTXBCMLYES-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.58
Rot. Bonds2

About 3-fluoro-4-(3-fluoroanilino)benzonitrile

3-fluoro-4-(3-fluoroanilino)benzonitrile (PubChem CID 43657175) has the molecular formula C13H8F2N2 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-fluoro-4-(3-fluoroanilino)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(3-fluoroanilino)benzonitrile
PubChem CID43657175
Molecular FormulaC13H8F2N2
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-fluoro-4-(3-fluoroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2cccc(F)c2)c(F)c1
InChIInChI=1S/C13H8F2N2/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-7,17H
InChIKeyYNIZVTXBCMLYES-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

Analyze 3-fluoro-4-(3-fluoroanilino)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-(3-iodoanilino)benzonitrile
CID 43657311
3-fluoro-4-(pyridin-3-ylamino)benzonitrile
CID 43657005
3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile
CID 43657209
3-(4-fluoro-2-iodoanilino)benzonitrile
CID 102816826
3-(2-amino-4-fluoroanilino)benzonitrile
CID 29067223
3-[4-(aminomethyl)-2-fluoroanilino]benzonitrile
CID 82292940
4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile
CID 43657118
2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile
CID 104716975
3-(2-amino-5-fluoroanilino)benzonitrile
CID 55067681
3-(5-chloro-2-fluoroanilino)benzonitrile
CID 102815357
4-(4-bromo-3-methoxyanilino)-3-fluorobenzonitrile
CID 82867653
4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 43657055

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-fluoroanilino)benzonitrile?
The IUPAC name of 3-fluoro-4-(3-fluoroanilino)benzonitrile (CID 43657175) is 3-fluoro-4-(3-fluoroanilino)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(3-fluoroanilino)benzonitrile?
The canonical SMILES for 3-fluoro-4-(3-fluoroanilino)benzonitrile is N#Cc1ccc(Nc2cccc(F)c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(3-fluoroanilino)benzonitrile?
The InChIKey is YNIZVTXBCMLYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-7,17H.
What are the key properties of 3-fluoro-4-(3-fluoroanilino)benzonitrile?
3-fluoro-4-(3-fluoroanilino)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 3-fluoro-4-(3-fluoroanilino)benzonitrile is sourced from PubChem (CID 43657175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).