4-[(ethoxyamino)methyl]-2-fluorobenzoic acid

C10H12FNO3 — CID 106700147

IUPAC4-[(ethoxyamino)methyl]-2-fluorobenzoic acid
SMILESCCONCc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C10H12FNO3/c1-2-15-12-6-7-3-4-8(10(13)14)9(11)5-7/h3-5,12H,2,6H2,1H3,(H,13,14)
InChIKeyRHWSFJAVYURJBX-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.57
Rot. Bonds5

About 4-[(ethoxyamino)methyl]-2-fluorobenzoic acid

4-[(ethoxyamino)methyl]-2-fluorobenzoic acid (PubChem CID 106700147) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 4-[(ethoxyamino)methyl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(ethoxyamino)methyl]-2-fluorobenzoic acid
PubChem CID106700147
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name4-[(ethoxyamino)methyl]-2-fluorobenzoic acid
SMILESCCONCc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C10H12FNO3/c1-2-15-12-6-7-3-4-8(10(13)14)9(11)5-7/h3-5,12H,2,6H2,1H3,(H,13,14)
InChIKeyRHWSFJAVYURJBX-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-ethoxyethylamino)methyl]-2-fluorobenzoic acid
CID 106699446
2-fluoro-4-(propoxymethyl)benzoic acid
CID 18913749
4-[(ethoxyamino)methyl]-2,6-difluorophenol
CID 82709745
2-fluoro-4-(pentoxymethyl)benzoic acid
CID 106698387
2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid
CID 163291974
2-fluoro-4-nonylbenzoic acid
CID 57292315
2-fluoro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzoic acid
CID 106700211
4-[(3-ethylanilino)methyl]-2-fluorobenzoic acid
CID 106699642
4-(ethylsulfanylmethyl)-2-fluorobenzoic acid
CID 106698577
2-fluoro-4-[[(3-fluorophenyl)methylamino]methyl]benzoic acid
CID 106699660
2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid
CID 106699613
2-fluoro-4-[(4-fluoro-3-methoxyanilino)methyl]benzoic acid
CID 106700567

Frequently Asked Questions

What is the IUPAC name of 4-[(ethoxyamino)methyl]-2-fluorobenzoic acid?
The IUPAC name of 4-[(ethoxyamino)methyl]-2-fluorobenzoic acid (CID 106700147) is 4-[(ethoxyamino)methyl]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[(ethoxyamino)methyl]-2-fluorobenzoic acid?
The canonical SMILES for 4-[(ethoxyamino)methyl]-2-fluorobenzoic acid is CCONCc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 4-[(ethoxyamino)methyl]-2-fluorobenzoic acid?
The InChIKey is RHWSFJAVYURJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-2-15-12-6-7-3-4-8(10(13)14)9(11)5-7/h3-5,12H,2,6H2,1H3,(H,13,14).
What are the key properties of 4-[(ethoxyamino)methyl]-2-fluorobenzoic acid?
4-[(ethoxyamino)methyl]-2-fluorobenzoic acid has a molecular weight of 213.21 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(ethoxyamino)methyl]-2-fluorobenzoic acid is sourced from PubChem (CID 106700147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).