1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene

C14H10FNO2 — CID 134890505

IUPAC1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene
SMILESO=[N+]([O-])/C=C(\c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H10FNO2/c15-13-8-6-12(7-9-13)14(10-16(17)18)11-4-2-1-3-5-11/h1-10H/b14-10+
InChIKeyZJIUNPJVFTUXEH-GXDHUFHOSA-N
MW243.24 g/mol
LogP3.49
Rot. Bonds3

About 1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene

1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene (PubChem CID 134890505) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene
PubChem CID134890505
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene
SMILESO=[N+]([O-])/C=C(\c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H10FNO2/c15-13-8-6-12(7-9-13)14(10-16(17)18)11-4-2-1-3-5-11/h1-10H/b14-10+
InChIKeyZJIUNPJVFTUXEH-GXDHUFHOSA-N
XLogP3.49
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.49
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene?
The IUPAC name of 1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene (CID 134890505) is 1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene?
The canonical SMILES for 1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene is O=[N+]([O-])/C=C(\c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene?
The InChIKey is ZJIUNPJVFTUXEH-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H10FNO2/c15-13-8-6-12(7-9-13)14(10-16(17)18)11-4-2-1-3-5-11/h1-10H/b14-10+.
What are the key properties of 1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene?
1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene has a molecular weight of 243.24 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene is sourced from PubChem (CID 134890505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).