1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene

C14H9BrFNO2 — CID 24774231

IUPAC1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1/C(=C\Br)c1ccc(F)cc1
InChIInChI=1S/C14H9BrFNO2/c15-9-13(10-5-7-11(16)8-6-10)12-3-1-2-4-14(12)17(18)19/h1-9H/b13-9-
InChIKeyKITYMWOGMFXYBX-LCYFTJDESA-N
MW322.13 g/mol
LogP4.52
Rot. Bonds3

About 1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene

1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene (PubChem CID 24774231) has the molecular formula C14H9BrFNO2 and a molecular weight of 322.13 g/mol. Its IUPAC name is 1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene.

Molecular Properties

Compound Name1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene
PubChem CID24774231
Molecular FormulaC14H9BrFNO2
Molecular Weight322.13 g/mol
Exact Mass320.98
IUPAC Name1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1/C(=C\Br)c1ccc(F)cc1
InChIInChI=1S/C14H9BrFNO2/c15-9-13(10-5-7-11(16)8-6-10)12-3-1-2-4-14(12)17(18)19/h1-9H/b13-9-
InChIKeyKITYMWOGMFXYBX-LCYFTJDESA-N
XLogP4.52
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 ≤ 54.52
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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Related Compounds

1-[2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene
CID 86243498
1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene
CID 134890505
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
(2-aminophenyl)-(4-fluorophenyl)methanone;fluorobenzene;(4-fluorophenyl)-(2-nitrophenyl)methanone;2-nitrobenzoyl chloride;trichloroalumane
CID 161480929
(5-fluoro-2-hydroxyphenyl)-(2-nitrophenyl)methanone
CID 71386459
benzene;2-nitrobenzoic acid
CID 19891435
[(1S)-1-(4-fluorophenyl)ethyl] 2-nitrobenzoate
CID 29434834
N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide
CID 26786259
sodium;hydride;2-nitrobenzoic acid
CID 173210089
(2-nitrobenzoyl) 2-nitrobenzoate
CID 548654
(E)-3-(4-bromo-2-fluorophenyl)-1-(2-nitrophenyl)prop-2-en-1-one
CID 9447988
[(2S)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 2-nitrobenzoate
CID 30548786

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene?
The IUPAC name of 1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene (CID 24774231) is 1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene.
What is the SMILES notation for 1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene?
The canonical SMILES for 1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene is O=[N+]([O-])c1ccccc1/C(=C\Br)c1ccc(F)cc1.
What is the InChIKey of 1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene?
The InChIKey is KITYMWOGMFXYBX-LCYFTJDESA-N. The full InChI is InChI=1S/C14H9BrFNO2/c15-9-13(10-5-7-11(16)8-6-10)12-3-1-2-4-14(12)17(18)19/h1-9H/b13-9-.
What are the key properties of 1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene?
1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene has a molecular weight of 322.13 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene is sourced from PubChem (CID 24774231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).