(4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol

C13H7Br2FO3 — CID 114723341

IUPAC(4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc(Br)c(Br)o1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C13H7Br2FO3/c14-8-5-11(19-13(8)15)12(17)10-4-6-3-7(16)1-2-9(6)18-10/h1-5,12,17H
InChIKeyCAMFSFLLKSXPSG-UHFFFAOYSA-N
MW390.00 g/mol
LogP4.77
Rot. Bonds2

About (4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol

(4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 114723341) has the molecular formula C13H7Br2FO3 and a molecular weight of 390.00 g/mol. Its IUPAC name is (4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
PubChem CID114723341
Molecular FormulaC13H7Br2FO3
Molecular Weight390.00 g/mol
Exact Mass387.87
IUPAC Name(4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc(Br)c(Br)o1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C13H7Br2FO3/c14-8-5-11(19-13(8)15)12(17)10-4-6-3-7(16)1-2-9(6)18-10/h1-5,12,17H
InChIKeyCAMFSFLLKSXPSG-UHFFFAOYSA-N
XLogP4.77
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.00
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723305
(5-bromothiophen-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 105129515
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
(5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836655
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836356
(5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836630
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723648
(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836603
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 114723636
1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol
CID 115836618
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727129
[(2-bromo-5-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105338716

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of (4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol (CID 114723341) is (4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol is OC(c1cc(Br)c(Br)o1)c1cc2cc(F)ccc2o1.
What is the InChIKey of (4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is CAMFSFLLKSXPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2FO3/c14-8-5-11(19-13(8)15)12(17)10-4-6-3-7(16)1-2-9(6)18-10/h1-5,12,17H.
What are the key properties of (4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
(4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 390.00 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114723341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).