2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid

C10H9FO6 — CID 170824233

IUPAC2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1C(O)C(O)C(=O)O
InChIInChI=1S/C10H9FO6/c11-5-3-1-2-4(6(5)9(14)15)7(12)8(13)10(16)17/h1-3,7-8,12-13H,(H,14,15)(H,16,17)
InChIKeyDBUHSRCGNAPEDC-UHFFFAOYSA-N
MW244.17 g/mol
LogP0.00
Rot. Bonds4

About 2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid

2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid (PubChem CID 170824233) has the molecular formula C10H9FO6 and a molecular weight of 244.17 g/mol. Its IUPAC name is 2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid
PubChem CID170824233
Molecular FormulaC10H9FO6
Molecular Weight244.17 g/mol
Exact Mass244.04
IUPAC Name2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1C(O)C(O)C(=O)O
InChIInChI=1S/C10H9FO6/c11-5-3-1-2-4(6(5)9(14)15)7(12)8(13)10(16)17/h1-3,7-8,12-13H,(H,14,15)(H,16,17)
InChIKeyDBUHSRCGNAPEDC-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

3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823546
2-(3-bromo-1,2-dihydroxypropyl)-6-fluorobenzoic acid
CID 171860258
3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823857
2-(4-acetylsulfanyl-1,2-dihydroxybutyl)-6-fluorobenzoic acid
CID 171876160
2-(1-cyanoethyl)-6-fluorobenzoic acid
CID 130135096
3-(2-chloro-6-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823544
2-[carboxy-(1-methylpyrrol-2-yl)methyl]-6-fluorobenzoic acid
CID 170873755
2-fluoro-6-methylbenzoic acid
CID 13478132
2-[1,2-dihydroxy-4-(phenylmethoxycarbonylamino)butyl]-6-fluorobenzoic acid
CID 171888701
2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid
CID 66204310
4-(2,3-difluorophenyl)-4-hydroxybutanoic acid
CID 63668220
3-(2-fluoro-5-formylphenyl)-2,3-dihydroxypropanoic acid
CID 170823875

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid?
The IUPAC name of 2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid (CID 170824233) is 2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid?
The canonical SMILES for 2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid is O=C(O)c1c(F)cccc1C(O)C(O)C(=O)O.
What is the InChIKey of 2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid?
The InChIKey is DBUHSRCGNAPEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO6/c11-5-3-1-2-4(6(5)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 2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid?
2-(2-carboxy-1,2-dihydroxyethyl)-6-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 2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid is sourced from PubChem (CID 170824233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).