2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane

C10H12BrIO2 — CID 130583334

IUPAC2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane
SMILESBrc1ccc(C2CCCC(CI)O2)o1
InChIInChI=1S/C10H12BrIO2/c11-10-5-4-9(14-10)8-3-1-2-7(6-12)13-8/h4-5,7-8H,1-3,6H2
InChIKeyHFCPBTIYGXYBKO-UHFFFAOYSA-N
MW371.01 g/mol
LogP4.09
Rot. Bonds2

About 2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane

2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane (PubChem CID 130583334) has the molecular formula C10H12BrIO2 and a molecular weight of 371.01 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane
PubChem CID130583334
Molecular FormulaC10H12BrIO2
Molecular Weight371.01 g/mol
Exact Mass369.91
IUPAC Name2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane
SMILESBrc1ccc(C2CCCC(CI)O2)o1
InChIInChI=1S/C10H12BrIO2/c11-10-5-4-9(14-10)8-3-1-2-7(6-12)13-8/h4-5,7-8H,1-3,6H2
InChIKeyHFCPBTIYGXYBKO-UHFFFAOYSA-N
XLogP4.09
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.01
LogP ≤ 54.09
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'}

Analyze 2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(iodomethyl)-6-(5-methylfuran-2-yl)oxane
CID 130583313
(2R,6S)-2-(iodomethyl)-6-(4-methylphenyl)oxane
CID 58035404
2-bromo-5-[5-(iodomethyl)-5-methyloxolan-2-yl]furan
CID 130583392
(2S,5S)-2-(iodomethyl)-5-phenyloxolane
CID 101241677
3-(5-bromofuran-2-yl)piperidine
CID 82390955
4-(5-bromofuran-2-yl)piperidine
CID 67469128
N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine
CID 60732893
2-bromo-5-[2-(bromomethyl)cyclopropyl]furan
CID 81351527
[6-(3-bromofuran-2-yl)oxan-2-yl]methanol
CID 130584323
2-(5-bromofuran-2-yl)-1,3-dioxole
CID 141434308
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine
CID 43215825
[2-(5-bromofuran-2-yl)cyclopropyl]methanol
CID 81358732

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane?
The IUPAC name of 2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane (CID 130583334) is 2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane?
The canonical SMILES for 2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane is Brc1ccc(C2CCCC(CI)O2)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane?
The InChIKey is HFCPBTIYGXYBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrIO2/c11-10-5-4-9(14-10)8-3-1-2-7(6-12)13-8/h4-5,7-8H,1-3,6H2.
What are the key properties of 2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane?
2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane has a molecular weight of 371.01 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane is sourced from PubChem (CID 130583334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).