2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone

C14H9F2NO4 — CID 104831980

IUPAC2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone
SMILESO=C(COc1c(F)cccc1[N+](=O)[O-])c1ccccc1F
InChIInChI=1S/C14H9F2NO4/c15-10-5-2-1-4-9(10)13(18)8-21-14-11(16)6-3-7-12(14)17(19)20/h1-7H,8H2
InChIKeyNEQRPNBMMWDLBX-UHFFFAOYSA-N
MW293.22 g/mol
LogP3.13
Rot. Bonds5

About 2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone

2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone (PubChem CID 104831980) has the molecular formula C14H9F2NO4 and a molecular weight of 293.22 g/mol. Its IUPAC name is 2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone
PubChem CID104831980
Molecular FormulaC14H9F2NO4
Molecular Weight293.22 g/mol
Exact Mass293.05
IUPAC Name2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone
SMILESO=C(COc1c(F)cccc1[N+](=O)[O-])c1ccccc1F
InChIInChI=1S/C14H9F2NO4/c15-10-5-2-1-4-9(10)13(18)8-21-14-11(16)6-3-7-12(14)17(19)20/h1-7H,8H2
InChIKeyNEQRPNBMMWDLBX-UHFFFAOYSA-N
XLogP3.13
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 53.13
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-(2-fluoro-6-nitrophenoxy)-1-thiophen-2-ylethanone
CID 113458289
1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone
CID 12909590
potassium trifluoro-[(2-fluoro-6-nitrophenoxy)methyl]boranuide
CID 104832470
2-(2,6-dichlorophenoxy)-1-(2-fluorophenyl)ethanone
CID 60626540
1-[2-(2-fluoro-6-nitrophenoxy)phenyl]propan-1-one
CID 104831813
1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene
CID 53255698
1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol
CID 104832228
2-(2,6-difluorophenoxy)-1-(2-methoxyphenyl)ethanone
CID 78908110
2-but-3-ynoxy-1-fluoro-3-nitrobenzene
CID 104832240
4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
CID 104832230
1-bromo-3-(2-fluoro-6-nitrophenoxy)propan-2-ol
CID 104831603
[2-(2-nitrophenyl)-2-oxoethyl] nitrate
CID 71676932

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone (CID 104831980) is 2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone is O=C(COc1c(F)cccc1[N+](=O)[O-])c1ccccc1F.
What is the InChIKey of 2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone?
The InChIKey is NEQRPNBMMWDLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO4/c15-10-5-2-1-4-9(10)13(18)8-21-14-11(16)6-3-7-12(14)17(19)20/h1-7H,8H2.
What are the key properties of 2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone?
2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone has a molecular weight of 293.22 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 104831980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).