1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene

C9H10FNO4 — CID 53255698

IUPAC1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene
SMILESCOCCOc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H10FNO4/c1-14-5-6-15-9-7(10)3-2-4-8(9)11(12)13/h2-4H,5-6H2,1H3
InChIKeyZJRZZNMZMFYFLB-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.76
Rot. Bonds5

About 1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene

1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene (PubChem CID 53255698) has the molecular formula C9H10FNO4 and a molecular weight of 215.18 g/mol. Its IUPAC name is 1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene.

Molecular Properties

Compound Name1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene
PubChem CID53255698
Molecular FormulaC9H10FNO4
Molecular Weight215.18 g/mol
Exact Mass215.06
IUPAC Name1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene
SMILESCOCCOc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H10FNO4/c1-14-5-6-15-9-7(10)3-2-4-8(9)11(12)13/h2-4H,5-6H2,1H3
InChIKeyZJRZZNMZMFYFLB-UHFFFAOYSA-N
XLogP1.76
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-but-3-ynoxy-1-fluoro-3-nitrobenzene
CID 104832240
4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
CID 104832230
1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol
CID 104832228
(2-fluoro-6-nitrophenyl) methyl carbonate
CID 67247258
1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene
CID 53255561
potassium trifluoro-[(2-fluoro-6-nitrophenoxy)methyl]boranuide
CID 104832470
4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide
CID 104832483
2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone
CID 104831980
3-(2-fluoro-6-nitrophenoxy)-2-methylpropane-1-thiol
CID 104832559
3-(2-fluoro-6-nitrophenoxy)-1-piperazin-1-ylpropan-1-one
CID 104831742
1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
CID 114496129
3-(2-fluoro-6-nitrophenoxy)-2-methyl-2-(methylamino)propanoic acid
CID 104832396

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene?
The IUPAC name of 1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene (CID 53255698) is 1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene.
What is the SMILES notation for 1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene?
The canonical SMILES for 1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene is COCCOc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of 1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene?
The InChIKey is ZJRZZNMZMFYFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4/c1-14-5-6-15-9-7(10)3-2-4-8(9)11(12)13/h2-4H,5-6H2,1H3.
What are the key properties of 1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene?
1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene has a molecular weight of 215.18 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene is sourced from PubChem (CID 53255698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).