4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid

C10H9BrF2O4 — CID 171878788

IUPAC4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C10H9BrF2O4/c11-4-1-5(12)9(6(13)2-4)10(17)7(14)3-8(15)16/h1-2,7,10,14,17H,3H2,(H,15,16)
InChIKeyUGKLBSJDPWRFLX-UHFFFAOYSA-N
MW311.08 g/mol
LogP1.60
Rot. Bonds4

About 4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid

4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid (PubChem CID 171878788) has the molecular formula C10H9BrF2O4 and a molecular weight of 311.08 g/mol. Its IUPAC name is 4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid
PubChem CID171878788
Molecular FormulaC10H9BrF2O4
Molecular Weight311.08 g/mol
Exact Mass309.97
IUPAC Name4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C10H9BrF2O4/c11-4-1-5(12)9(6(13)2-4)10(17)7(14)3-8(15)16/h1-2,7,10,14,17H,3H2,(H,15,16)
InChIKeyUGKLBSJDPWRFLX-UHFFFAOYSA-N
XLogP1.60
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.08
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(4-bromo-2,6-difluorophenyl)propanoic acid
CID 117449260
4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878758
methyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate
CID 171896706
4-(2-bromo-5-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878755
4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878756
4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide
CID 171900289
1-(2,4-dibromo-6-fluorophenyl)butane-1,2,4-triol
CID 171873416
4-(3,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid
CID 171878028
4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877281
4-(5-bromopyrimidin-2-yl)-3,4-dihydroxybutanoic acid
CID 171878730
4-(3,4-difluoro-5-methoxyphenyl)-3,4-dihydroxybutanoic acid
CID 171878022
4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid
CID 171878026

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid (CID 171878788) is 4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid is O=C(O)CC(O)C(O)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid?
The InChIKey is UGKLBSJDPWRFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O4/c11-4-1-5(12)9(6(13)2-4)10(17)7(14)3-8(15)16/h1-2,7,10,14,17H,3H2,(H,15,16).
What are the key properties of 4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid?
4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid has a molecular weight of 311.08 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171878788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).