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

C10H10BrFO4 — CID 171878756

IUPAC4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1ccc(F)cc1Br
InChIInChI=1S/C10H10BrFO4/c11-7-3-5(12)1-2-6(7)10(16)8(13)4-9(14)15/h1-3,8,10,13,16H,4H2,(H,14,15)
InChIKeyCHFVUIPASOWDNC-UHFFFAOYSA-N
MW293.09 g/mol
LogP1.46
Rot. Bonds4

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

4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid (PubChem CID 171878756) has the molecular formula C10H10BrFO4 and a molecular weight of 293.09 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid
PubChem CID171878756
Molecular FormulaC10H10BrFO4
Molecular Weight293.09 g/mol
Exact Mass291.97
IUPAC Name4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1ccc(F)cc1Br
InChIInChI=1S/C10H10BrFO4/c11-7-3-5(12)1-2-6(7)10(16)8(13)4-9(14)15/h1-3,8,10,13,16H,4H2,(H,14,15)
InChIKeyCHFVUIPASOWDNC-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-(2-bromo-5-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878755
4-bromo-1-(2-bromo-4-fluorophenyl)butane-1,2-diol
CID 171893090
1-(2-bromo-4-fluorophenyl)-4-chlorobutane-1,2-diol
CID 171894881
1-(2-bromo-4-fluorophenyl)-2,2-difluoroethanol
CID 103947015
(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpropan-1-ol
CID 130739633
4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878758
ethyl 2-[(2-bromo-4-fluorophenyl)-hydroxymethyl]pentanoate
CID 114060845
4-(2-ethoxycarbonyl-5-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878533
4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171877250
4-(4-amino-1,2-dihydroxy-4-oxobutyl)-3-bromobenzoic acid
CID 171900309
4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878788
2-(aminomethyl)-1-(2-bromo-4-fluorophenyl)-3-methylbutan-1-ol
CID 65185535

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid (CID 171878756) is 4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid is O=C(O)CC(O)C(O)c1ccc(F)cc1Br.
What is the InChIKey of 4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid?
The InChIKey is CHFVUIPASOWDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO4/c11-7-3-5(12)1-2-6(7)10(16)8(13)4-9(14)15/h1-3,8,10,13,16H,4H2,(H,14,15).
What are the key properties of 4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid?
4-(2-bromo-4-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-4-fluorophenyl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171878756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).