1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone

C10H10FNO4 — CID 171013298

IUPAC1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone
SMILESCCOc1c(F)cc(C(C)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10FNO4/c1-3-16-10-8(11)4-7(6(2)13)5-9(10)12(14)15/h4-5H,3H2,1-2H3
InChIKeyKCDNOLPCEZKOHO-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.34
Rot. Bonds4

About 1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone

1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone (PubChem CID 171013298) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone
PubChem CID171013298
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone
SMILESCCOc1c(F)cc(C(C)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10FNO4/c1-3-16-10-8(11)4-7(6(2)13)5-9(10)12(14)15/h4-5H,3H2,1-2H3
InChIKeyKCDNOLPCEZKOHO-UHFFFAOYSA-N
XLogP2.34
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.34
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

2-ethoxy-1,5-difluoro-3-nitrobenzene
CID 121228440
1-(2-ethoxy-5-methyl-3-nitrophenyl)ethanone
CID 96828054
1-(2-ethoxy-4-fluoro-5-nitrophenyl)ethanone
CID 171013229
1-(4-ethoxy-3-methoxy-5-nitrophenyl)propan-1-one
CID 112720297
2,3-diethoxy-4,6-dinitrophenol
CID 156633172
2-ethoxy-4,6-dinitrobenzene-1,3-diol
CID 139703790
1-(3,5-difluoro-4-pentoxyphenyl)ethanone
CID 91657642
1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983
1-(2-ethoxy-3,5-difluorophenyl)ethanone
CID 83880634
1-(3-ethoxy-2-iodo-4-nitrophenyl)ethanone
CID 171016537
1-(2-amino-3-ethoxy-4-nitrophenyl)ethanone
CID 171026431
ethyl 4-cyano-3-fluoro-5-nitrobenzoate
CID 134645242

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone?
The IUPAC name of 1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone (CID 171013298) is 1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone.
What is the SMILES notation for 1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone?
The canonical SMILES for 1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone is CCOc1c(F)cc(C(C)=O)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone?
The InChIKey is KCDNOLPCEZKOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4/c1-3-16-10-8(11)4-7(6(2)13)5-9(10)12(14)15/h4-5H,3H2,1-2H3.
What are the key properties of 1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone?
1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone has a molecular weight of 227.19 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-fluoro-5-nitrophenyl)ethanone is sourced from PubChem (CID 171013298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).