2-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone

C12H8FNO4S — CID 113458289

IUPAC2-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone
SMILESO=C(COc1c(F)cccc1[N+](=O)[O-])c1cccs1
InChIInChI=1S/C12H8FNO4S/c13-8-3-1-4-9(14(16)17)12(8)18-7-10(15)11-5-2-6-19-11/h1-6H,7H2
InChIKeyARDUYCVKZKTNFC-UHFFFAOYSA-N
MW281.26 g/mol
LogP3.06
Rot. Bonds5

About 2-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone

2-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone (PubChem CID 113458289) has the molecular formula C12H8FNO4S and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone
PubChem CID113458289
Molecular FormulaC12H8FNO4S
Molecular Weight281.26 g/mol
Exact Mass281.02
IUPAC Name2-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone
SMILESO=C(COc1c(F)cccc1[N+](=O)[O-])c1cccs1
InChIInChI=1S/C12H8FNO4S/c13-8-3-1-4-9(14(16)17)12(8)18-7-10(15)11-5-2-6-19-11/h1-6H,7H2
InChIKeyARDUYCVKZKTNFC-UHFFFAOYSA-N
XLogP3.06
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone
CID 104831980
2-(4-nitrophenoxy)-1-thiophen-2-ylethanone
CID 60625574
2-fluoro-6-(2-oxo-2-thiophen-2-ylethoxy)benzamide
CID 62034000
1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene
CID 53255698
1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol
CID 104832228
2-but-3-ynoxy-1-fluoro-3-nitrobenzene
CID 104832240
potassium trifluoro-[(2-fluoro-6-nitrophenoxy)methyl]boranuide
CID 104832470
2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone
CID 43612539
(2-oxo-2-thiophen-2-ylethyl) 5-chloro-2-nitrobenzoate
CID 2602739
(2-oxo-2-thiophen-2-ylethyl) 4-ethoxy-3-nitrobenzoate
CID 9390793
2-(2-bromo-6-nitrophenoxy)-1-(3-fluorophenyl)ethanone
CID 81496683
4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
CID 104832230

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone (CID 113458289) is 2-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone is O=C(COc1c(F)cccc1[N+](=O)[O-])c1cccs1.
What is the InChIKey of 2-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone?
The InChIKey is ARDUYCVKZKTNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO4S/c13-8-3-1-4-9(14(16)17)12(8)18-7-10(15)11-5-2-6-19-11/h1-6H,7H2.
What are the key properties of 2-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone?
2-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone has a molecular weight of 281.26 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone is sourced from PubChem (CID 113458289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).