2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid

C9H8FNO6 — CID 107260614

IUPAC2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid
SMILESCOc1cc(OCC(=O)O)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H8FNO6/c1-16-8-3-7(17-4-9(12)13)5(10)2-6(8)11(14)15/h2-3H,4H2,1H3,(H,12,13)
InChIKeyHUAZHKFXZNJCAI-UHFFFAOYSA-N
MW245.16 g/mol
LogP1.21
Rot. Bonds5

About 2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid

2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid (PubChem CID 107260614) has the molecular formula C9H8FNO6 and a molecular weight of 245.16 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid
PubChem CID107260614
Molecular FormulaC9H8FNO6
Molecular Weight245.16 g/mol
Exact Mass245.03
IUPAC Name2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid
SMILESCOc1cc(OCC(=O)O)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H8FNO6/c1-16-8-3-7(17-4-9(12)13)5(10)2-6(8)11(14)15/h2-3H,4H2,1H3,(H,12,13)
InChIKeyHUAZHKFXZNJCAI-UHFFFAOYSA-N
XLogP1.21
TPSA98.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 51.21
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

2-(2,5-difluoro-4-nitrophenoxy)acetic acid
CID 63600039
2-(2-fluoro-5-methyl-4-nitrophenoxy)acetic acid
CID 114416258
2-(2-fluoro-5-methoxy-4-nitrophenyl)sulfanylacetic acid
CID 107260086
2-(3-methoxy-4-nitrophenoxy)acetic acid
CID 47002219
2-[N-(carboxymethyl)-2-fluoro-5-methoxy-4-nitroanilino]acetic acid
CID 107260017
3-[(4-fluoro-5-methoxy-2-nitrophenoxy)methyl]pentan-3-amine
CID 64573421
2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine
CID 63598346
2-(5-methoxy-2-nitrophenoxy)acetic acid
CID 91683018
2-[2-(4-fluoro-5-methoxy-2-nitroanilino)ethoxy]acetic acid
CID 79457753
2-(4-chloro-2-nitrophenoxy)acetic acid
CID 715650
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
4-(2-fluoro-5-methoxy-4-nitroanilino)-3-methylbutanoic acid
CID 107260046

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid?
The IUPAC name of 2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid (CID 107260614) is 2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid.
What is the SMILES notation for 2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid?
The canonical SMILES for 2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid is COc1cc(OCC(=O)O)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid?
The InChIKey is HUAZHKFXZNJCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO6/c1-16-8-3-7(17-4-9(12)13)5(10)2-6(8)11(14)15/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid?
2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid has a molecular weight of 245.16 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid is sourced from PubChem (CID 107260614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).