4-(aminooxymethyl)-2-fluorobenzoic acid

C8H8FNO3 — CID 106698513

IUPAC4-(aminooxymethyl)-2-fluorobenzoic acid
SMILESNOCc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C8H8FNO3/c9-7-3-5(4-13-10)1-2-6(7)8(11)12/h1-3H,4,10H2,(H,11,12)
InChIKeySZXILWIPKIBTHW-UHFFFAOYSA-N
MW185.15 g/mol
LogP0.91
Rot. Bonds3

About 4-(aminooxymethyl)-2-fluorobenzoic acid

4-(aminooxymethyl)-2-fluorobenzoic acid (PubChem CID 106698513) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is 4-(aminooxymethyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(aminooxymethyl)-2-fluorobenzoic acid
PubChem CID106698513
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name4-(aminooxymethyl)-2-fluorobenzoic acid
SMILESNOCc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C8H8FNO3/c9-7-3-5(4-13-10)1-2-6(7)8(11)12/h1-3H,4,10H2,(H,11,12)
InChIKeySZXILWIPKIBTHW-UHFFFAOYSA-N
XLogP0.91
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-(propan-2-yloxymethyl)benzoic acid
CID 106698299
5-(aminooxymethyl)-2-methylbenzoic acid
CID 117278599
2-fluoro-4-(propoxymethyl)benzoic acid
CID 18913749
O-[(3,4-difluorophenyl)methyl]hydroxylamine
CID 19876093
4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzoic acid
CID 106698232
2-fluoro-4-(pentoxymethyl)benzoic acid
CID 106698387
2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid
CID 163291974
4-[(5-bromo-2-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698528
2-fluoro-4-[(4-methylsulfanylphenoxy)methyl]benzoic acid
CID 106698429
4-[(4-bromo-3-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698455
O-[(4-bromo-3-fluorophenyl)methyl]hydroxylamine
CID 117313669
4-[(2-chloro-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698363

Frequently Asked Questions

What is the IUPAC name of 4-(aminooxymethyl)-2-fluorobenzoic acid?
The IUPAC name of 4-(aminooxymethyl)-2-fluorobenzoic acid (CID 106698513) is 4-(aminooxymethyl)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(aminooxymethyl)-2-fluorobenzoic acid?
The canonical SMILES for 4-(aminooxymethyl)-2-fluorobenzoic acid is NOCc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 4-(aminooxymethyl)-2-fluorobenzoic acid?
The InChIKey is SZXILWIPKIBTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c9-7-3-5(4-13-10)1-2-6(7)8(11)12/h1-3H,4,10H2,(H,11,12).
What are the key properties of 4-(aminooxymethyl)-2-fluorobenzoic acid?
4-(aminooxymethyl)-2-fluorobenzoic acid has a molecular weight of 185.15 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminooxymethyl)-2-fluorobenzoic acid is sourced from PubChem (CID 106698513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).