5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid

C11H6FNO6 — CID 55049940

IUPAC5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2cc(F)ccc2[N+](=O)[O-])o1
InChIInChI=1S/C11H6FNO6/c12-6-1-2-7(13(16)17)9(5-6)19-10-4-3-8(18-10)11(14)15/h1-5H,(H,14,15)
InChIKeyJRGIFBZQTNJXTJ-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.82
Rot. Bonds4

About 5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid

5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid (PubChem CID 55049940) has the molecular formula C11H6FNO6 and a molecular weight of 267.17 g/mol. Its IUPAC name is 5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid
PubChem CID55049940
Molecular FormulaC11H6FNO6
Molecular Weight267.17 g/mol
Exact Mass267.02
IUPAC Name5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2cc(F)ccc2[N+](=O)[O-])o1
InChIInChI=1S/C11H6FNO6/c12-6-1-2-7(13(16)17)9(5-6)19-10-4-3-8(18-10)11(14)15/h1-5H,(H,14,15)
InChIKeyJRGIFBZQTNJXTJ-UHFFFAOYSA-N
XLogP2.82
TPSA102.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.82
H-Bond Donors ≤ 51
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

5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid
CID 102702579
3-chloro-4-(5-fluoro-2-nitrophenoxy)benzoic acid
CID 62378183
2-(5-chloro-2-nitrophenoxy)-4-fluorobenzoic acid
CID 107016662
3-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62701072
4-fluoro-2-(2-nitrophenoxy)benzoic acid
CID 107016486
3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380022
6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 66458082
1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 60726170
(5-fluoro-2-nitrophenyl) 5-methylthiophene-2-carboxylate
CID 47097369
2-(4-bromophenoxy)-4-fluoro-1-nitrobenzene
CID 62377093
2-[2-(chloromethyl)-4-fluorophenoxy]-4-fluoro-1-nitrobenzene
CID 61031561
3-(3-chloro-2-fluorophenoxy)-4-nitrobenzoic acid
CID 116688858

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid?
The IUPAC name of 5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid (CID 55049940) is 5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid.
What is the SMILES notation for 5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid?
The canonical SMILES for 5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid is O=C(O)c1ccc(Oc2cc(F)ccc2[N+](=O)[O-])o1.
What is the InChIKey of 5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid?
The InChIKey is JRGIFBZQTNJXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FNO6/c12-6-1-2-7(13(16)17)9(5-6)19-10-4-3-8(18-10)11(14)15/h1-5H,(H,14,15).
What are the key properties of 5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid?
5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid has a molecular weight of 267.17 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid is sourced from PubChem (CID 55049940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).