5-bromo-2,6-dimethylfuro[3,2-b]furan

C8H7BrO2 — CID 129149223

IUPAC5-bromo-2,6-dimethylfuro[3,2-b]furan
SMILESCc1cc2oc(Br)c(C)c2o1
InChIInChI=1S/C8H7BrO2/c1-4-3-6-7(10-4)5(2)8(9)11-6/h3H,1-2H3
InChIKeyXCIPOAWEGHDBNT-UHFFFAOYSA-N
MW215.05 g/mol
LogP3.41
Rot. Bonds

About 5-bromo-2,6-dimethylfuro[3,2-b]furan

5-bromo-2,6-dimethylfuro[3,2-b]furan (PubChem CID 129149223) has the molecular formula C8H7BrO2 and a molecular weight of 215.05 g/mol. Its IUPAC name is 5-bromo-2,6-dimethylfuro[3,2-b]furan.

Molecular Properties

Compound Name5-bromo-2,6-dimethylfuro[3,2-b]furan
PubChem CID129149223
Molecular FormulaC8H7BrO2
Molecular Weight215.05 g/mol
Exact Mass213.96
IUPAC Name5-bromo-2,6-dimethylfuro[3,2-b]furan
SMILESCc1cc2oc(Br)c(C)c2o1
InChIInChI=1S/C8H7BrO2/c1-4-3-6-7(10-4)5(2)8(9)11-6/h3H,1-2H3
InChIKeyXCIPOAWEGHDBNT-UHFFFAOYSA-N
XLogP3.41
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,6-dimethylfuro[3,2-b]furan?
The IUPAC name of 5-bromo-2,6-dimethylfuro[3,2-b]furan (CID 129149223) is 5-bromo-2,6-dimethylfuro[3,2-b]furan.
What is the SMILES notation for 5-bromo-2,6-dimethylfuro[3,2-b]furan?
The canonical SMILES for 5-bromo-2,6-dimethylfuro[3,2-b]furan is Cc1cc2oc(Br)c(C)c2o1.
What is the InChIKey of 5-bromo-2,6-dimethylfuro[3,2-b]furan?
The InChIKey is XCIPOAWEGHDBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2/c1-4-3-6-7(10-4)5(2)8(9)11-6/h3H,1-2H3.
What are the key properties of 5-bromo-2,6-dimethylfuro[3,2-b]furan?
5-bromo-2,6-dimethylfuro[3,2-b]furan has a molecular weight of 215.05 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,6-dimethylfuro[3,2-b]furan is sourced from PubChem (CID 129149223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).