2-ethoxy-1,5-difluoro-3-nitrobenzene

C8H7F2NO3 — CID 121228440

IUPAC2-ethoxy-1,5-difluoro-3-nitrobenzene
SMILESCCOc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7F2NO3/c1-2-14-8-6(10)3-5(9)4-7(8)11(12)13/h3-4H,2H2,1H3
InChIKeyYADWVVSRBSSIIA-UHFFFAOYSA-N
MW203.14 g/mol
LogP2.27
Rot. Bonds3

About 2-ethoxy-1,5-difluoro-3-nitrobenzene

2-ethoxy-1,5-difluoro-3-nitrobenzene (PubChem CID 121228440) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 2-ethoxy-1,5-difluoro-3-nitrobenzene.

Molecular Properties

Compound Name2-ethoxy-1,5-difluoro-3-nitrobenzene
PubChem CID121228440
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name2-ethoxy-1,5-difluoro-3-nitrobenzene
SMILESCCOc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7F2NO3/c1-2-14-8-6(10)3-5(9)4-7(8)11(12)13/h3-4H,2H2,1H3
InChIKeyYADWVVSRBSSIIA-UHFFFAOYSA-N
XLogP2.27
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 52.27
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

1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone
CID 171013298
1,5-difluoro-3-nitro-2-phenylmethoxybenzene
CID 68842689
2,3-diethoxy-4,6-dinitrophenol
CID 156633172
2-ethoxy-4,6-dinitrobenzene-1,3-diol
CID 139703790
5-fluoro-1,2-dimethoxy-3-nitrobenzene
CID 118807824
4-ethoxy-5-nitrobenzene-1,3-dicarbaldehyde
CID 171003716
ethyl 2-(2-bromo-4-fluoro-6-nitrophenoxy)acetate
CID 43092999
1-(2-ethoxy-3,5-difluorophenyl)ethanone
CID 83880634
1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene
CID 13281435
5-bromo-1-chloro-2-ethoxy-3-nitrobenzene
CID 70699765
2-ethoxy-3,5-dinitrobenzonitrile
CID 4527967
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,4-difluoro-6-nitroaniline
CID 142292064

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,5-difluoro-3-nitrobenzene?
The IUPAC name of 2-ethoxy-1,5-difluoro-3-nitrobenzene (CID 121228440) is 2-ethoxy-1,5-difluoro-3-nitrobenzene.
What is the SMILES notation for 2-ethoxy-1,5-difluoro-3-nitrobenzene?
The canonical SMILES for 2-ethoxy-1,5-difluoro-3-nitrobenzene is CCOc1c(F)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-ethoxy-1,5-difluoro-3-nitrobenzene?
The InChIKey is YADWVVSRBSSIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-2-14-8-6(10)3-5(9)4-7(8)11(12)13/h3-4H,2H2,1H3.
What are the key properties of 2-ethoxy-1,5-difluoro-3-nitrobenzene?
2-ethoxy-1,5-difluoro-3-nitrobenzene has a molecular weight of 203.14 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,5-difluoro-3-nitrobenzene is sourced from PubChem (CID 121228440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).