2-bromo-5-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]furan

C11H14BrIO2 — CID 130583151

IUPAC2-bromo-5-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]furan
SMILESCC1(CI)CCC(C)(c2ccc(Br)o2)O1
InChIInChI=1S/C11H14BrIO2/c1-10(7-13)5-6-11(2,15-10)8-3-4-9(12)14-8/h3-4H,5-7H2,1-2H3
InChIKeySXLWLSXBGGPZQI-UHFFFAOYSA-N
MW385.04 g/mol
LogP4.26
Rot. Bonds2

About 2-bromo-5-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]furan

2-bromo-5-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]furan (PubChem CID 130583151) has the molecular formula C11H14BrIO2 and a molecular weight of 385.04 g/mol. Its IUPAC name is 2-bromo-5-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]furan.

Molecular Properties

Compound Name2-bromo-5-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]furan
PubChem CID130583151
Molecular FormulaC11H14BrIO2
Molecular Weight385.04 g/mol
Exact Mass383.92
IUPAC Name2-bromo-5-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]furan
SMILESCC1(CI)CCC(C)(c2ccc(Br)o2)O1
InChIInChI=1S/C11H14BrIO2/c1-10(7-13)5-6-11(2,15-10)8-3-4-9(12)14-8/h3-4H,5-7H2,1-2H3
InChIKeySXLWLSXBGGPZQI-UHFFFAOYSA-N
XLogP4.26
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.04
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]furan?
The IUPAC name of 2-bromo-5-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]furan (CID 130583151) is 2-bromo-5-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]furan.
What is the SMILES notation for 2-bromo-5-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]furan?
The canonical SMILES for 2-bromo-5-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]furan is CC1(CI)CCC(C)(c2ccc(Br)o2)O1.
What is the InChIKey of 2-bromo-5-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]furan?
The InChIKey is SXLWLSXBGGPZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrIO2/c1-10(7-13)5-6-11(2,15-10)8-3-4-9(12)14-8/h3-4H,5-7H2,1-2H3.
What are the key properties of 2-bromo-5-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]furan?
2-bromo-5-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]furan has a molecular weight of 385.04 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]furan is sourced from PubChem (CID 130583151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).