1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene

C8H7BrFNO3 — CID 13281435

IUPAC1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene
SMILESCCOc1cc([N+](=O)[O-])c(F)cc1Br
InChIInChI=1S/C8H7BrFNO3/c1-2-14-8-4-7(11(12)13)6(10)3-5(8)9/h3-4H,2H2,1H3
InChIKeyDNJPAMIXTUOHON-UHFFFAOYSA-N
MW264.05 g/mol
LogP2.90
Rot. Bonds3

About 1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene

1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene (PubChem CID 13281435) has the molecular formula C8H7BrFNO3 and a molecular weight of 264.05 g/mol. Its IUPAC name is 1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene.

Molecular Properties

Compound Name1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene
PubChem CID13281435
Molecular FormulaC8H7BrFNO3
Molecular Weight264.05 g/mol
Exact Mass262.96
IUPAC Name1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene
SMILESCCOc1cc([N+](=O)[O-])c(F)cc1Br
InChIInChI=1S/C8H7BrFNO3/c1-2-14-8-4-7(11(12)13)6(10)3-5(8)9/h3-4H,2H2,1H3
InChIKeyDNJPAMIXTUOHON-UHFFFAOYSA-N
XLogP2.90
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.05
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-bromo-4-ethoxy-2-nitrobenzaldehyde
CID 155438084
1-(5-bromo-4-ethoxy-2-nitrophenyl)ethanone
CID 171000695
1-(2-ethoxy-4-fluoro-5-nitrophenyl)ethanone
CID 171013229
1-bromo-5-fluoro-4-(fluoromethoxy)-2-nitrobenzene
CID 118847379
N-(4-bromo-5-ethoxy-2-nitrophenyl)formamide
CID 168654266
ethyl 2-ethoxy-4-fluoro-5-nitrobenzoate
CID 59198570
1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene
CID 118852839
sodium;1-bromo-2-chloro-5-fluoro-4-nitrobenzene;methanolate
CID 67469276
1-bromo-2-[2-[2-(2-bromo-4-fluoro-5-nitrophenyl)propan-2-yloxy]propan-2-yl]-5-fluoro-4-nitrobenzene
CID 140989597
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene
CID 142787352
2-ethoxy-1,5-difluoro-3-nitrobenzene
CID 121228440

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene?
The IUPAC name of 1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene (CID 13281435) is 1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene.
What is the SMILES notation for 1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene?
The canonical SMILES for 1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene is CCOc1cc([N+](=O)[O-])c(F)cc1Br.
What is the InChIKey of 1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene?
The InChIKey is DNJPAMIXTUOHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO3/c1-2-14-8-4-7(11(12)13)6(10)3-5(8)9/h3-4H,2H2,1H3.
What are the key properties of 1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene?
1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene has a molecular weight of 264.05 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene is sourced from PubChem (CID 13281435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).