1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone

C14H10FNO4 — CID 60726170

IUPAC1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H10FNO4/c1-9(17)11-4-2-3-5-13(11)20-14-8-10(15)6-7-12(14)16(18)19/h2-8H,1H3
InChIKeyIAZWYGTVLDXEGQ-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.73
Rot. Bonds4

About 1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone

1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone (PubChem CID 60726170) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone
PubChem CID60726170
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H10FNO4/c1-9(17)11-4-2-3-5-13(11)20-14-8-10(15)6-7-12(14)16(18)19/h2-8H,1H3
InChIKeyIAZWYGTVLDXEGQ-UHFFFAOYSA-N
XLogP3.73
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 53.73
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-(4-bromo-5-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 103483326
1-[2-(5-chloro-2-nitrophenoxy)-5-fluorophenyl]ethanone
CID 62305700
4-fluoro-2-(2-nitrophenoxy)benzoic acid
CID 107016486
2-(5-fluoro-2-nitrophenoxy)-1-(2-methoxyphenyl)ethanone
CID 8873297
2-(5-chloro-2-nitrophenoxy)-4-fluorobenzoic acid
CID 107016662
(5-fluoro-2-nitrophenyl) 4-acetylbenzenesulfonate
CID 26949045
2-(2-nitrophenoxy)benzoic acid
CID 19922477
1-[2-(5-chloro-2-nitrophenoxy)phenyl]propan-1-one
CID 115994733
1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanone
CID 61030529
1-[2-(4-nitrophenoxy)phenyl]ethanone
CID 7040232
1-[2-(4-fluorophenoxy)phenyl]ethanone
CID 10633209
[2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol
CID 61031552

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone?
The IUPAC name of 1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone (CID 60726170) is 1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone is CC(=O)c1ccccc1Oc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone?
The InChIKey is IAZWYGTVLDXEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c1-9(17)11-4-2-3-5-13(11)20-14-8-10(15)6-7-12(14)16(18)19/h2-8H,1H3.
What are the key properties of 1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone?
1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone has a molecular weight of 275.24 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone is sourced from PubChem (CID 60726170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).