1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene

C8H5FINO2 — CID 122399471

IUPAC1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene
SMILESO=[N+]([O-])/C=C(/I)c1ccc(F)cc1
InChIInChI=1S/C8H5FINO2/c9-7-3-1-6(2-4-7)8(10)5-11(12)13/h1-5H/b8-5+
InChIKeyZZVCCRMOMNFENL-VMPITWQZSA-N
MW293.04 g/mol
LogP2.84
Rot. Bonds2

About 1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene

1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene (PubChem CID 122399471) has the molecular formula C8H5FINO2 and a molecular weight of 293.04 g/mol. Its IUPAC name is 1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene
PubChem CID122399471
Molecular FormulaC8H5FINO2
Molecular Weight293.04 g/mol
Exact Mass292.93
IUPAC Name1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene
SMILESO=[N+]([O-])/C=C(/I)c1ccc(F)cc1
InChIInChI=1S/C8H5FINO2/c9-7-3-1-6(2-4-7)8(10)5-11(12)13/h1-5H/b8-5+
InChIKeyZZVCCRMOMNFENL-VMPITWQZSA-N
XLogP2.84
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.04
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene
CID 134890505
1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene
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1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene
CID 132608056
1-[2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene
CID 86243498
1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene
CID 24774231
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1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone
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1-(4-fluorophenyl)-2-nitrobutan-1-one
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1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene
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(E)-N-[2-(4-fluorophenyl)ethyl]-1-methylsulfanyl-2-nitroethenamine
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copper bis(4-fluorobenzoate)
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1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene?
The IUPAC name of 1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene (CID 122399471) is 1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene?
The canonical SMILES for 1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene is O=[N+]([O-])/C=C(/I)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene?
The InChIKey is ZZVCCRMOMNFENL-VMPITWQZSA-N. The full InChI is InChI=1S/C8H5FINO2/c9-7-3-1-6(2-4-7)8(10)5-11(12)13/h1-5H/b8-5+.
What are the key properties of 1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene?
1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene has a molecular weight of 293.04 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene is sourced from PubChem (CID 122399471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).