5-fluoro-2-(4-nitrophenoxy)benzoic acid

C13H8FNO5 — CID 61032286

IUPAC5-fluoro-2-(4-nitrophenoxy)benzoic acid
SMILESO=C(O)c1cc(F)ccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H8FNO5/c14-8-1-6-12(11(7-8)13(16)17)20-10-4-2-9(3-5-10)15(18)19/h1-7H,(H,16,17)
InChIKeyQUJDJQYKCAPFGG-UHFFFAOYSA-N
MW277.21 g/mol
LogP3.22
Rot. Bonds4

About 5-fluoro-2-(4-nitrophenoxy)benzoic acid

5-fluoro-2-(4-nitrophenoxy)benzoic acid (PubChem CID 61032286) has the molecular formula C13H8FNO5 and a molecular weight of 277.21 g/mol. Its IUPAC name is 5-fluoro-2-(4-nitrophenoxy)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(4-nitrophenoxy)benzoic acid
PubChem CID61032286
Molecular FormulaC13H8FNO5
Molecular Weight277.21 g/mol
Exact Mass277.04
IUPAC Name5-fluoro-2-(4-nitrophenoxy)benzoic acid
SMILESO=C(O)c1cc(F)ccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H8FNO5/c14-8-1-6-12(11(7-8)13(16)17)20-10-4-2-9(3-5-10)15(18)19/h1-7H,(H,16,17)
InChIKeyQUJDJQYKCAPFGG-UHFFFAOYSA-N
XLogP3.22
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
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-(4-nitrophenoxy)benzoic acid
CID 139059188
2-(3,4-difluorophenoxy)-5-nitrobenzoic acid
CID 43399553
2,4-difluoro-1-(4-nitrophenoxy)benzene
CID 3015409
2-(3-bromo-4-fluorophenoxy)-5-nitrobenzoic acid
CID 83231977
2-(3-fluoro-4-methylphenoxy)-5-nitrobenzoic acid
CID 107168817
5-bromo-2-(3-fluoro-5-nitrophenoxy)benzoic acid
CID 104629583
2-(chloromethyl)-4-fluoro-1-(4-nitrophenoxy)benzene
CID 54915564
4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 107016673
2-fluoro-4-(4-fluoro-2-nitrophenoxy)benzoic acid
CID 104629670
2-(4-fluorophenoxy)-5-iodobenzoic acid
CID 70332778
2-(4-fluorophenoxy)-5-methylbenzoic acid
CID 22767862
5-bromo-2-(4-fluoro-2-nitrophenoxy)benzoic acid
CID 104629521

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-nitrophenoxy)benzoic acid?
The IUPAC name of 5-fluoro-2-(4-nitrophenoxy)benzoic acid (CID 61032286) is 5-fluoro-2-(4-nitrophenoxy)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(4-nitrophenoxy)benzoic acid?
The canonical SMILES for 5-fluoro-2-(4-nitrophenoxy)benzoic acid is O=C(O)c1cc(F)ccc1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-fluoro-2-(4-nitrophenoxy)benzoic acid?
The InChIKey is QUJDJQYKCAPFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO5/c14-8-1-6-12(11(7-8)13(16)17)20-10-4-2-9(3-5-10)15(18)19/h1-7H,(H,16,17).
What are the key properties of 5-fluoro-2-(4-nitrophenoxy)benzoic acid?
5-fluoro-2-(4-nitrophenoxy)benzoic acid has a molecular weight of 277.21 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-nitrophenoxy)benzoic acid is sourced from PubChem (CID 61032286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).