4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile

C14H6FN3O3 — CID 103792103

IUPAC4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)c(F)c1
InChIInChI=1S/C14H6FN3O3/c15-12-5-9(7-16)1-3-14(12)21-13-4-2-11(18(19)20)6-10(13)8-17/h1-6H
InChIKeyCSNGVTQSGBAIIR-UHFFFAOYSA-N
MW283.22 g/mol
LogP3.27
Rot. Bonds3

About 4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile

4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile (PubChem CID 103792103) has the molecular formula C14H6FN3O3 and a molecular weight of 283.22 g/mol. Its IUPAC name is 4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile
PubChem CID103792103
Molecular FormulaC14H6FN3O3
Molecular Weight283.22 g/mol
Exact Mass283.04
IUPAC Name4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)c(F)c1
InChIInChI=1S/C14H6FN3O3/c15-12-5-9(7-16)1-3-14(12)21-13-4-2-11(18(19)20)6-10(13)8-17/h1-6H
InChIKeyCSNGVTQSGBAIIR-UHFFFAOYSA-N
XLogP3.27
TPSA99.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile 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

4-(2-amino-4-nitrophenoxy)-3-fluorobenzonitrile
CID 107670147
4-(2-chloro-5-nitrophenoxy)-3-fluorobenzonitrile
CID 63992371
4-(2-fluoro-4-nitrophenoxy)-3-methylbenzonitrile
CID 51892162
4-(4-chloro-2-nitrophenoxy)-3-fluorobenzonitrile
CID 43657467
2-[4-chloro-2-(2-cyano-4-nitrophenoxy)phenoxy]-5-nitrobenzonitrile
CID 74762646
2-(2-chloro-4-nitrophenoxy)-5-nitrobenzonitrile
CID 4269103
4-(2,5-dimethyl-4-nitrophenoxy)-3-fluorobenzonitrile
CID 63180886
3-fluoro-4-(4-formyl-2-nitrophenoxy)benzonitrile
CID 107665695
4-[(2-amino-5-nitrophenyl)methoxy]-3-fluorobenzonitrile
CID 107668142
4-(4-cyano-2-fluorophenoxy)-N-methyl-3-nitrobenzamide
CID 133376887
5-nitro-2-(2,4,5-trichlorophenoxy)benzonitrile
CID 2686879
2-(2-iodophenoxy)-5-nitrobenzonitrile
CID 47280369

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile?
The IUPAC name of 4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile (CID 103792103) is 4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile?
The canonical SMILES for 4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile is N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)c(F)c1.
What is the InChIKey of 4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile?
The InChIKey is CSNGVTQSGBAIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6FN3O3/c15-12-5-9(7-16)1-3-14(12)21-13-4-2-11(18(19)20)6-10(13)8-17/h1-6H.
What are the key properties of 4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile?
4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile has a molecular weight of 283.22 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-4-nitrophenoxy)-3-fluorobenzonitrile is sourced from PubChem (CID 103792103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).