methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate

C6H3Br2FO2S — CID 165135508

IUPACmethyl 3,5-dibromo-4-fluorothiophene-2-carboxylate
SMILESCOC(=O)c1sc(Br)c(F)c1Br
InChIInChI=1S/C6H3Br2FO2S/c1-11-6(10)4-2(7)3(9)5(8)12-4/h1H3
InChIKeyGXACFROQMWKMHA-UHFFFAOYSA-N
MW317.96 g/mol
LogP3.20
Rot. Bonds1

About methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate

methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate (PubChem CID 165135508) has the molecular formula C6H3Br2FO2S and a molecular weight of 317.96 g/mol. Its IUPAC name is methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-dibromo-4-fluorothiophene-2-carboxylate
PubChem CID165135508
Molecular FormulaC6H3Br2FO2S
Molecular Weight317.96 g/mol
Exact Mass315.82
IUPAC Namemethyl 3,5-dibromo-4-fluorothiophene-2-carboxylate
SMILESCOC(=O)c1sc(Br)c(F)c1Br
InChIInChI=1S/C6H3Br2FO2S/c1-11-6(10)4-2(7)3(9)5(8)12-4/h1H3
InChIKeyGXACFROQMWKMHA-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.96
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate?
The IUPAC name of methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate (CID 165135508) is methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate.
What is the SMILES notation for methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate?
The canonical SMILES for methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate is COC(=O)c1sc(Br)c(F)c1Br.
What is the InChIKey of methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate?
The InChIKey is GXACFROQMWKMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2FO2S/c1-11-6(10)4-2(7)3(9)5(8)12-4/h1H3.
What are the key properties of methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate?
methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate has a molecular weight of 317.96 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate is sourced from PubChem (CID 165135508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).