5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid

C10H9FO6 — CID 170824217

IUPAC5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid
SMILESO=C(O)c1cc(C(O)C(O)C(=O)O)ccc1F
InChIInChI=1S/C10H9FO6/c11-6-2-1-4(3-5(6)9(14)15)7(12)8(13)10(16)17/h1-3,7-8,12-13H,(H,14,15)(H,16,17)
InChIKeyGHUQEARHZSZUTD-UHFFFAOYSA-N
MW244.17 g/mol
LogP0.00
Rot. Bonds4

About 5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid

5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid (PubChem CID 170824217) has the molecular formula C10H9FO6 and a molecular weight of 244.17 g/mol. Its IUPAC name is 5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid
PubChem CID170824217
Molecular FormulaC10H9FO6
Molecular Weight244.17 g/mol
Exact Mass244.04
IUPAC Name5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid
SMILESO=C(O)c1cc(C(O)C(O)C(=O)O)ccc1F
InChIInChI=1S/C10H9FO6/c11-6-2-1-4(3-5(6)9(14)15)7(12)8(13)10(16)17/h1-3,7-8,12-13H,(H,14,15)(H,16,17)
InChIKeyGHUQEARHZSZUTD-UHFFFAOYSA-N
XLogP0.00
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-1,2-dihydroxypropyl)-2-fluorobenzoic acid
CID 171862293
3-(4-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823555
5-(3-acetylsulfanyl-1,2-dihydroxypropyl)-2-fluorobenzoic acid
CID 170822194
5-(3-azido-1,2-dihydroxypropyl)-2-fluorobenzoic acid
CID 170826281
5-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)-2-fluorobenzoic acid
CID 171897642
3-(4-cyano-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823998
2,3-dihydroxy-3-(3,4,5-trifluorophenyl)propanoic acid
CID 170823796
5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-fluorobenzoic acid
CID 66511313
3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropanoic acid
CID 170824279
3-[4-(cyanomethyl)-3-fluorophenyl]-2,3-dihydroxypropanoic acid
CID 170824371
3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823466
3-(4-acetyl-3-chlorophenyl)-2,3-dihydroxypropanoic acid
CID 170824284

Frequently Asked Questions

What is the IUPAC name of 5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid?
The IUPAC name of 5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid (CID 170824217) is 5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid.
What is the SMILES notation for 5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid?
The canonical SMILES for 5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid is O=C(O)c1cc(C(O)C(O)C(=O)O)ccc1F.
What is the InChIKey of 5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid?
The InChIKey is GHUQEARHZSZUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO6/c11-6-2-1-4(3-5(6)9(14)15)7(12)8(13)10(16)17/h1-3,7-8,12-13H,(H,14,15)(H,16,17).
What are the key properties of 5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid?
5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid has a molecular weight of 244.17 g/mol, XLogP of 0.00, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid is sourced from PubChem (CID 170824217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).