2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid

C11H14FNO4 — CID 79523169

IUPAC2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid
SMILESO=C(O)c1c(F)cccc1NCCOCCO
InChIInChI=1S/C11H14FNO4/c12-8-2-1-3-9(10(8)11(15)16)13-4-6-17-7-5-14/h1-3,13-14H,4-7H2,(H,15,16)
InChIKeyMOYIOYRSSGLULI-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.94
Rot. Bonds7

About 2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid

2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid (PubChem CID 79523169) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid
PubChem CID79523169
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid
SMILESO=C(O)c1c(F)cccc1NCCOCCO
InChIInChI=1S/C11H14FNO4/c12-8-2-1-3-9(10(8)11(15)16)13-4-6-17-7-5-14/h1-3,13-14H,4-7H2,(H,15,16)
InChIKeyMOYIOYRSSGLULI-UHFFFAOYSA-N
XLogP0.94
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-(propylamino)benzoic acid
CID 79522268
1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone
CID 78897897
2-fluoro-6-[2-(4-fluorophenyl)ethylamino]benzoic acid
CID 79521946
2-fluoro-6-(3-methylsulfonylpropylamino)benzoic acid
CID 79522433
2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid
CID 79522120
2-fluoro-6-(prop-2-ynylamino)benzoic acid
CID 79522669
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654478
2-[2-[3-[2-(2-hydroxyethoxy)ethylamino]-2-nitroanilino]ethoxy]ethanol
CID 54067877
2-fluoro-6-[(4-hydroxy-1-methoxybutan-2-yl)amino]benzoic acid
CID 114152202
2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol
CID 62815209
2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid
CID 79522747
2-bromo-6-(2-but-3-enoxyethylamino)benzoic acid
CID 114185326

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid?
The IUPAC name of 2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid (CID 79523169) is 2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid is O=C(O)c1c(F)cccc1NCCOCCO.
What is the InChIKey of 2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid?
The InChIKey is MOYIOYRSSGLULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4/c12-8-2-1-3-9(10(8)11(15)16)13-4-6-17-7-5-14/h1-3,13-14H,4-7H2,(H,15,16).
What are the key properties of 2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid?
2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid has a molecular weight of 243.23 g/mol, XLogP of 0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid is sourced from PubChem (CID 79523169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).