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

C9H10FNO4 — CID 53255561

IUPAC1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene
SMILESCOCCOc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C9H10FNO4/c1-14-5-6-15-8-4-2-3-7(10)9(8)11(12)13/h2-4H,5-6H2,1H3
InChIKeySWHNFGFHPPSJAP-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.76
Rot. Bonds5

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

1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene (PubChem CID 53255561) has the molecular formula C9H10FNO4 and a molecular weight of 215.18 g/mol. Its IUPAC name is 1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene.

Molecular Properties

Compound Name1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene
PubChem CID53255561
Molecular FormulaC9H10FNO4
Molecular Weight215.18 g/mol
Exact Mass215.06
IUPAC Name1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene
SMILESCOCCOc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C9H10FNO4/c1-14-5-6-15-8-4-2-3-7(10)9(8)11(12)13/h2-4H,5-6H2,1H3
InChIKeySWHNFGFHPPSJAP-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

[3-(2-methoxyethoxy)-2-nitrophenyl] carbamate
CID 175523343
1-(3,3-dimethylbutoxy)-3-fluoro-2-nitrobenzene
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3-(2-methoxyethoxy)-2-nitrobenzoic acid
CID 69405433
N,N-diethyl-2-(3-fluoro-2-nitrophenoxy)ethanamine
CID 55101038
1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene
CID 53255698
1-(3-methoxypropoxy)-3-methyl-2-nitrobenzene
CID 75505868
1-but-2-enoxy-3-fluoro-2-nitrobenzene
CID 76948199
1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine
CID 62665257
1-[2-(4-fluorophenoxy)ethoxy]-3-methyl-2-nitrobenzene
CID 112828309
1-[(4-chlorophenyl)methoxy]-3-fluoro-2-nitrobenzene
CID 65125963
1-fluoro-2-nitro-3-propan-2-yloxybenzene
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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene?
The IUPAC name of 1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene (CID 53255561) is 1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene.
What is the SMILES notation for 1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene?
The canonical SMILES for 1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene is COCCOc1cccc(F)c1[N+](=O)[O-].
What is the InChIKey of 1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene?
The InChIKey is SWHNFGFHPPSJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4/c1-14-5-6-15-8-4-2-3-7(10)9(8)11(12)13/h2-4H,5-6H2,1H3.
What are the key properties of 1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene?
1-fluoro-3-(2-methoxyethoxy)-2-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-3-(2-methoxyethoxy)-2-nitrobenzene is sourced from PubChem (CID 53255561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).