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

C10H10BrFO4 — CID 171878758

IUPAC4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1c(F)cccc1Br
InChIInChI=1S/C10H10BrFO4/c11-5-2-1-3-6(12)9(5)10(16)7(13)4-8(14)15/h1-3,7,10,13,16H,4H2,(H,14,15)
InChIKeyYGYHDYOYOFVHNT-UHFFFAOYSA-N
MW293.09 g/mol
LogP1.46
Rot. Bonds4

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

4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid (PubChem CID 171878758) has the molecular formula C10H10BrFO4 and a molecular weight of 293.09 g/mol. Its IUPAC name is 4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid
PubChem CID171878758
Molecular FormulaC10H10BrFO4
Molecular Weight293.09 g/mol
Exact Mass291.97
IUPAC Name4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1c(F)cccc1Br
InChIInChI=1S/C10H10BrFO4/c11-5-2-1-3-6(12)9(5)10(16)7(13)4-8(14)15/h1-3,7,10,13,16H,4H2,(H,14,15)
InChIKeyYGYHDYOYOFVHNT-UHFFFAOYSA-N
XLogP1.46
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.09
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878788
1-(2-bromo-6-fluorophenyl)-2,2-difluoroethanol
CID 130062648
4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171877250
4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878756
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
4-(2-bromo-5-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878755
1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol
CID 107893072
(3S)-3-(2-chloro-6-fluorophenyl)-3-hydroxypropanoic acid
CID 94425333
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
3-amino-3-(3-bromo-2,6-difluorophenyl)propanoic acid
CID 117449262
2-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)-3-fluorobenzoic acid
CID 171897648
4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol
CID 171891582

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid (CID 171878758) is 4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid is O=C(O)CC(O)C(O)c1c(F)cccc1Br.
What is the InChIKey of 4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid?
The InChIKey is YGYHDYOYOFVHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO4/c11-5-2-1-3-6(12)9(5)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-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid?
4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid has a molecular weight of 293.09 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171878758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).