1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone

C9H8FNO4 — CID 131610488

IUPAC1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone
SMILESCOc1cc([N+](=O)[O-])c(F)cc1C(C)=O
InChIInChI=1S/C9H8FNO4/c1-5(12)6-3-7(10)8(11(13)14)4-9(6)15-2/h3-4H,1-2H3
InChIKeyOVEHJIQAIBPQLS-UHFFFAOYSA-N
MW213.16 g/mol
LogP1.95
Rot. Bonds3

About 1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone

1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone (PubChem CID 131610488) has the molecular formula C9H8FNO4 and a molecular weight of 213.16 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone
PubChem CID131610488
Molecular FormulaC9H8FNO4
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone
SMILESCOc1cc([N+](=O)[O-])c(F)cc1C(C)=O
InChIInChI=1S/C9H8FNO4/c1-5(12)6-3-7(10)8(11(13)14)4-9(6)15-2/h3-4H,1-2H3
InChIKeyOVEHJIQAIBPQLS-UHFFFAOYSA-N
XLogP1.95
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(difluoromethoxy)-5-fluoro-4-nitrophenyl]ethanone
CID 171031882
1-[2-(difluoromethoxy)-4-fluoro-5-nitrophenyl]ethanone
CID 171031879
1-(2-ethoxy-4-fluoro-5-nitrophenyl)ethanone
CID 171013229
1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone
CID 122237244
1-(2-chloro-4-fluoro-5-nitrophenyl)ethanone
CID 18314484
(2,4-difluoro-5-nitrophenyl) acetate
CID 174766654
(Z)-4-amino-3-(4-fluoro-2-methoxy-5-nitrophenyl)pent-3-ene-2-thione
CID 176925712
5-fluoro-2-methoxy-4-nitrobenzonitrile
CID 166638353
N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide
CID 168650974
5-acetyl-2-methoxy-4-nitrobenzonitrile
CID 131301576
methyl 2-methoxy-4,5-dinitrobenzoate
CID 165357884
1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethanone
CID 10539898

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone?
The IUPAC name of 1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone (CID 131610488) is 1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone is COc1cc([N+](=O)[O-])c(F)cc1C(C)=O.
What is the InChIKey of 1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone?
The InChIKey is OVEHJIQAIBPQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO4/c1-5(12)6-3-7(10)8(11(13)14)4-9(6)15-2/h3-4H,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone?
1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone has a molecular weight of 213.16 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone is sourced from PubChem (CID 131610488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).