methyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate

C11H11Br2FO4 — CID 171896706

IUPACmethyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate
SMILESCOC(=O)CC(O)C(O)c1c(F)cc(Br)cc1Br
InChIInChI=1S/C11H11Br2FO4/c1-18-9(16)4-8(15)11(17)10-6(13)2-5(12)3-7(10)14/h2-3,8,11,15,17H,4H2,1H3
InChIKeyYHAOOFOFKMQSLL-UHFFFAOYSA-N
MW386.01 g/mol
LogP2.31
Rot. Bonds4

About methyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate

methyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate (PubChem CID 171896706) has the molecular formula C11H11Br2FO4 and a molecular weight of 386.01 g/mol. Its IUPAC name is methyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate.

Molecular Properties

Compound Namemethyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate
PubChem CID171896706
Molecular FormulaC11H11Br2FO4
Molecular Weight386.01 g/mol
Exact Mass383.90
IUPAC Namemethyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate
SMILESCOC(=O)CC(O)C(O)c1c(F)cc(Br)cc1Br
InChIInChI=1S/C11H11Br2FO4/c1-18-9(16)4-8(15)11(17)10-6(13)2-5(12)3-7(10)14/h2-3,8,11,15,17H,4H2,1H3
InChIKeyYHAOOFOFKMQSLL-UHFFFAOYSA-N
XLogP2.31
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.01
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3,4-dihydroxy-4-(2,3,5,6-tetrafluorophenyl)butanoate
CID 171895845
methyl (3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propanoate
CID 171248588
methyl 4-(4-bromo-2,5-difluorophenyl)-3,4-dihydroxybutanoate
CID 171896702
4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878788
methyl 4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutanoate
CID 171895424
1-(2,4-dibromo-6-fluorophenyl)butane-1,2,4-triol
CID 171873416
ethyl 4-(2,6-dibromo-4-fluorophenyl)-3,4-dihydroxybutanoate
CID 171898499
4-(2-bromo-4,6-difluorophenyl)-3,4-dihydroxybutanamide
CID 171900289
methyl 4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutanoate
CID 171895486
methyl 4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanoate
CID 171896669
methyl 4-[3,5-difluoro-4-(hydroxymethyl)phenyl]-3,4-dihydroxybutanoate
CID 171895944
methyl 4-(2,4-difluorophenyl)-3,4-dihydroxybutanoate
CID 171895163

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate?
The IUPAC name of methyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate (CID 171896706) is methyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate.
What is the SMILES notation for methyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate?
The canonical SMILES for methyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate is COC(=O)CC(O)C(O)c1c(F)cc(Br)cc1Br.
What is the InChIKey of methyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate?
The InChIKey is YHAOOFOFKMQSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2FO4/c1-18-9(16)4-8(15)11(17)10-6(13)2-5(12)3-7(10)14/h2-3,8,11,15,17H,4H2,1H3.
What are the key properties of methyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate?
methyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate has a molecular weight of 386.01 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,4-dibromo-6-fluorophenyl)-3,4-dihydroxybutanoate is sourced from PubChem (CID 171896706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).