fluoro 5,7-dibromo-4-hydroxy-2-methyl-1-benzofuran-3-carboxylate

C10H5Br2FO4 — CID 145119334

IUPACfluoro 5,7-dibromo-4-hydroxy-2-methyl-1-benzofuran-3-carboxylate
SMILESCc1oc2c(Br)cc(Br)c(O)c2c1C(=O)OF
InChIInChI=1S/C10H5Br2FO4/c1-3-6(10(15)17-13)7-8(14)4(11)2-5(12)9(7)16-3/h2,14H,1H3
InChIKeyQQKYEXAOSWHFRL-UHFFFAOYSA-N
MW367.95 g/mol
LogP4.01
Rot. Bonds1

About fluoro 5,7-dibromo-4-hydroxy-2-methyl-1-benzofuran-3-carboxylate

fluoro 5,7-dibromo-4-hydroxy-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 145119334) has the molecular formula C10H5Br2FO4 and a molecular weight of 367.95 g/mol. Its IUPAC name is fluoro 5,7-dibromo-4-hydroxy-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namefluoro 5,7-dibromo-4-hydroxy-2-methyl-1-benzofuran-3-carboxylate
PubChem CID145119334
Molecular FormulaC10H5Br2FO4
Molecular Weight367.95 g/mol
Exact Mass365.85
IUPAC Namefluoro 5,7-dibromo-4-hydroxy-2-methyl-1-benzofuran-3-carboxylate
SMILESCc1oc2c(Br)cc(Br)c(O)c2c1C(=O)OF
InChIInChI=1S/C10H5Br2FO4/c1-3-6(10(15)17-13)7-8(14)4(11)2-5(12)9(7)16-3/h2,14H,1H3
InChIKeyQQKYEXAOSWHFRL-UHFFFAOYSA-N
XLogP4.01
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.95
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro 5,7-dibromo-4-hydroxy-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of fluoro 5,7-dibromo-4-hydroxy-2-methyl-1-benzofuran-3-carboxylate (CID 145119334) is fluoro 5,7-dibromo-4-hydroxy-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for fluoro 5,7-dibromo-4-hydroxy-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for fluoro 5,7-dibromo-4-hydroxy-2-methyl-1-benzofuran-3-carboxylate is Cc1oc2c(Br)cc(Br)c(O)c2c1C(=O)OF.
What is the InChIKey of fluoro 5,7-dibromo-4-hydroxy-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is QQKYEXAOSWHFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2FO4/c1-3-6(10(15)17-13)7-8(14)4(11)2-5(12)9(7)16-3/h2,14H,1H3.
What are the key properties of fluoro 5,7-dibromo-4-hydroxy-2-methyl-1-benzofuran-3-carboxylate?
fluoro 5,7-dibromo-4-hydroxy-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 367.95 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 5,7-dibromo-4-hydroxy-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 145119334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).