4-amino-3-(3-fluorophenyl)benzonitrile

C13H9FN2 — CID 46314165

IUPAC4-amino-3-(3-fluorophenyl)benzonitrile
SMILESN#Cc1ccc(N)c(-c2cccc(F)c2)c1
InChIInChI=1S/C13H9FN2/c14-11-3-1-2-10(7-11)12-6-9(8-15)4-5-13(12)16/h1-7H,16H2
InChIKeyQDZMGTWBRXGSFL-UHFFFAOYSA-N
MW212.23 g/mol
LogP2.95
Rot. Bonds1

About 4-amino-3-(3-fluorophenyl)benzonitrile

4-amino-3-(3-fluorophenyl)benzonitrile (PubChem CID 46314165) has the molecular formula C13H9FN2 and a molecular weight of 212.23 g/mol. Its IUPAC name is 4-amino-3-(3-fluorophenyl)benzonitrile.

Molecular Properties

Compound Name4-amino-3-(3-fluorophenyl)benzonitrile
PubChem CID46314165
Molecular FormulaC13H9FN2
Molecular Weight212.23 g/mol
Exact Mass212.07
IUPAC Name4-amino-3-(3-fluorophenyl)benzonitrile
SMILESN#Cc1ccc(N)c(-c2cccc(F)c2)c1
InChIInChI=1S/C13H9FN2/c14-11-3-1-2-10(7-11)12-6-9(8-15)4-5-13(12)16/h1-7H,16H2
InChIKeyQDZMGTWBRXGSFL-UHFFFAOYSA-N
XLogP2.95
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-3-(3-fluorophenyl)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-(2-amino-4-fluorophenyl)benzonitrile
CID 107626378
4-chloro-2-(3-fluorophenyl)aniline
CID 81275314
4-amino-3-fluorobenzonitrile;methane
CID 174516091
5,6-bis(3-fluorophenyl)pyridine-3-carbonitrile
CID 46313539
3-fluorobenzonitrile;hydrochloride
CID 140590350
2-(3-aminophenyl)-4-fluoroaniline
CID 68785207
3-fluoro-5-(3-fluorophenyl)benzonitrile
CID 46312350
4-(3-fluorophenyl)naphthalen-1-amine
CID 171396853
ethane;3-fluorobenzonitrile
CID 143604554
4-fluoro-3-phenylbenzonitrile
CID 46314741
2-(3-fluorophenyl)pyrimidine-5-carbonitrile
CID 45073377
3-(4-amino-3-pyridinyl)benzonitrile
CID 79004011

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-fluorophenyl)benzonitrile?
The IUPAC name of 4-amino-3-(3-fluorophenyl)benzonitrile (CID 46314165) is 4-amino-3-(3-fluorophenyl)benzonitrile.
What is the SMILES notation for 4-amino-3-(3-fluorophenyl)benzonitrile?
The canonical SMILES for 4-amino-3-(3-fluorophenyl)benzonitrile is N#Cc1ccc(N)c(-c2cccc(F)c2)c1.
What is the InChIKey of 4-amino-3-(3-fluorophenyl)benzonitrile?
The InChIKey is QDZMGTWBRXGSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2/c14-11-3-1-2-10(7-11)12-6-9(8-15)4-5-13(12)16/h1-7H,16H2.
What are the key properties of 4-amino-3-(3-fluorophenyl)benzonitrile?
4-amino-3-(3-fluorophenyl)benzonitrile has a molecular weight of 212.23 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-fluorophenyl)benzonitrile is sourced from PubChem (CID 46314165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).