4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid

C10H10F2O4 — CID 171877250

IUPAC4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1cccc(F)c1F
InChIInChI=1S/C10H10F2O4/c11-6-3-1-2-5(9(6)12)10(16)7(13)4-8(14)15/h1-3,7,10,13,16H,4H2,(H,14,15)
InChIKeyPMFCGBSVHQRUCM-UHFFFAOYSA-N
MW232.18 g/mol
LogP0.83
Rot. Bonds4

About 4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid

4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid (PubChem CID 171877250) has the molecular formula C10H10F2O4 and a molecular weight of 232.18 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid
PubChem CID171877250
Molecular FormulaC10H10F2O4
Molecular Weight232.18 g/mol
Exact Mass232.05
IUPAC Name4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1cccc(F)c1F
InChIInChI=1S/C10H10F2O4/c11-6-3-1-2-5(9(6)12)10(16)7(13)4-8(14)15/h1-3,7,10,13,16H,4H2,(H,14,15)
InChIKeyPMFCGBSVHQRUCM-UHFFFAOYSA-N
XLogP0.83
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829633
2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid
CID 66204310
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid
CID 171877230
1-(2,3-difluorophenyl)pentane-1,2-diol
CID 103454950
4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878758
4-(2,3-difluorophenyl)-4-hydroxybutanoic acid
CID 63668220
3-(2,3-difluorophenyl)-3-hydroxypropanoate
CID 19770355
3-(4-amino-1,2-dihydroxy-4-oxobutyl)-2-fluorobenzoic acid
CID 171899442
4-(2-chloro-3-methylphenyl)-3,4-dihydroxybutanoic acid
CID 171877208
4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877157
4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878756
4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid
CID 171877228

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid (CID 171877250) is 4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid is O=C(O)CC(O)C(O)c1cccc(F)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid?
The InChIKey is PMFCGBSVHQRUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O4/c11-6-3-1-2-5(9(6)12)10(16)7(13)4-8(14)15/h1-3,7,10,13,16H,4H2,(H,14,15).
What are the key properties of 4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid?
4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid has a molecular weight of 232.18 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171877250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).