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

C13H7F2NO5 — CID 107016673

IUPAC4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid
SMILESO=C(O)c1ccc(F)cc1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C13H7F2NO5/c14-7-1-3-9(13(17)18)12(5-7)21-11-4-2-8(16(19)20)6-10(11)15/h1-6H,(H,17,18)
InChIKeyLGZPNMFXBYBZAP-UHFFFAOYSA-N
MW295.20 g/mol
LogP3.36
Rot. Bonds4

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

4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid (PubChem CID 107016673) has the molecular formula C13H7F2NO5 and a molecular weight of 295.20 g/mol. Its IUPAC name is 4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid
PubChem CID107016673
Molecular FormulaC13H7F2NO5
Molecular Weight295.20 g/mol
Exact Mass295.03
IUPAC Name4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid
SMILESO=C(O)c1ccc(F)cc1Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C13H7F2NO5/c14-7-1-3-9(13(17)18)12(5-7)21-11-4-2-8(16(19)20)6-10(11)15/h1-6H,(H,17,18)
InChIKeyLGZPNMFXBYBZAP-UHFFFAOYSA-N
XLogP3.36
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 53.36
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

4-fluoro-2-(2-methyl-5-nitrophenoxy)benzoic acid
CID 107016608
5-chloro-2-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 61395827
2-fluoro-6-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 79515985
4-fluoro-2-(2-nitrophenoxy)benzoic acid
CID 107016486
2-(5-chloro-2-nitrophenoxy)-4-fluorobenzoic acid
CID 107016662
2-(2-fluoro-5-methylphenoxy)-4-nitrobenzoic acid
CID 64855000
4-chloro-2-(2-chloro-4-nitrophenoxy)benzoic acid
CID 61395911
2-(2-fluoro-4-nitrophenoxy)phenol
CID 60869522
2-chloro-6-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 61037465
5-fluoro-2-(4-nitrophenoxy)benzoic acid
CID 61032286
2-fluoro-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenoxy]-4-nitrobenzene
CID 133283309
4-fluoro-2-(2-methyl-3-nitrophenoxy)benzoic acid
CID 107016511

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid?
The IUPAC name of 4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid (CID 107016673) is 4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid?
The canonical SMILES for 4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid is O=C(O)c1ccc(F)cc1Oc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid?
The InChIKey is LGZPNMFXBYBZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2NO5/c14-7-1-3-9(13(17)18)12(5-7)21-11-4-2-8(16(19)20)6-10(11)15/h1-6H,(H,17,18).
What are the key properties of 4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid?
4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid has a molecular weight of 295.20 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid is sourced from PubChem (CID 107016673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).