1-bromo-2-[2-(4-fluorophenyl)-2-nitroethenyl]benzene

C14H9BrFNO2 — CID 87939359

IUPAC1-bromo-2-[2-(4-fluorophenyl)-2-nitroethenyl]benzene
SMILESO=[N+]([O-])C(=Cc1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C14H9BrFNO2/c15-13-4-2-1-3-11(13)9-14(17(18)19)10-5-7-12(16)8-6-10/h1-9H
InChIKeyLQHZJAHXNZSOTE-UHFFFAOYSA-N
MW322.13 g/mol
LogP4.36
Rot. Bonds3

About 1-bromo-2-[2-(4-fluorophenyl)-2-nitroethenyl]benzene

1-bromo-2-[2-(4-fluorophenyl)-2-nitroethenyl]benzene (PubChem CID 87939359) has the molecular formula C14H9BrFNO2 and a molecular weight of 322.13 g/mol. Its IUPAC name is 1-bromo-2-[2-(4-fluorophenyl)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[2-(4-fluorophenyl)-2-nitroethenyl]benzene
PubChem CID87939359
Molecular FormulaC14H9BrFNO2
Molecular Weight322.13 g/mol
Exact Mass320.98
IUPAC Name1-bromo-2-[2-(4-fluorophenyl)-2-nitroethenyl]benzene
SMILESO=[N+]([O-])C(=Cc1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C14H9BrFNO2/c15-13-4-2-1-3-11(13)9-14(17(18)19)10-5-7-12(16)8-6-10/h1-9H
InChIKeyLQHZJAHXNZSOTE-UHFFFAOYSA-N
XLogP4.36
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.13
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-bromo-2-[2-(4-fluorophenyl)-2-nitroethenyl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-(4-fluorophenyl)-2-nitroethenyl]benzene?
The IUPAC name of 1-bromo-2-[2-(4-fluorophenyl)-2-nitroethenyl]benzene (CID 87939359) is 1-bromo-2-[2-(4-fluorophenyl)-2-nitroethenyl]benzene.
What is the SMILES notation for 1-bromo-2-[2-(4-fluorophenyl)-2-nitroethenyl]benzene?
The canonical SMILES for 1-bromo-2-[2-(4-fluorophenyl)-2-nitroethenyl]benzene is O=[N+]([O-])C(=Cc1ccccc1Br)c1ccc(F)cc1.
What is the InChIKey of 1-bromo-2-[2-(4-fluorophenyl)-2-nitroethenyl]benzene?
The InChIKey is LQHZJAHXNZSOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO2/c15-13-4-2-1-3-11(13)9-14(17(18)19)10-5-7-12(16)8-6-10/h1-9H.
What are the key properties of 1-bromo-2-[2-(4-fluorophenyl)-2-nitroethenyl]benzene?
1-bromo-2-[2-(4-fluorophenyl)-2-nitroethenyl]benzene has a molecular weight of 322.13 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-(4-fluorophenyl)-2-nitroethenyl]benzene is sourced from PubChem (CID 87939359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).