2-bromo-5-[5-(iodomethyl)-5-methyloxolan-2-yl]furan

C10H12BrIO2 — CID 130583392

IUPAC2-bromo-5-[5-(iodomethyl)-5-methyloxolan-2-yl]furan
SMILESCC1(CI)CCC(c2ccc(Br)o2)O1
InChIInChI=1S/C10H12BrIO2/c1-10(6-12)5-4-8(14-10)7-2-3-9(11)13-7/h2-3,8H,4-6H2,1H3
InChIKeyRXHCTVUXBDLKLA-UHFFFAOYSA-N
MW371.01 g/mol
LogP4.09
Rot. Bonds2

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

2-bromo-5-[5-(iodomethyl)-5-methyloxolan-2-yl]furan (PubChem CID 130583392) has the molecular formula C10H12BrIO2 and a molecular weight of 371.01 g/mol. Its IUPAC name is 2-bromo-5-[5-(iodomethyl)-5-methyloxolan-2-yl]furan.

Molecular Properties

Compound Name2-bromo-5-[5-(iodomethyl)-5-methyloxolan-2-yl]furan
PubChem CID130583392
Molecular FormulaC10H12BrIO2
Molecular Weight371.01 g/mol
Exact Mass369.91
IUPAC Name2-bromo-5-[5-(iodomethyl)-5-methyloxolan-2-yl]furan
SMILESCC1(CI)CCC(c2ccc(Br)o2)O1
InChIInChI=1S/C10H12BrIO2/c1-10(6-12)5-4-8(14-10)7-2-3-9(11)13-7/h2-3,8H,4-6H2,1H3
InChIKeyRXHCTVUXBDLKLA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[5-(iodomethyl)-5-methyloxolan-2-yl]furan?
The IUPAC name of 2-bromo-5-[5-(iodomethyl)-5-methyloxolan-2-yl]furan (CID 130583392) is 2-bromo-5-[5-(iodomethyl)-5-methyloxolan-2-yl]furan.
What is the SMILES notation for 2-bromo-5-[5-(iodomethyl)-5-methyloxolan-2-yl]furan?
The canonical SMILES for 2-bromo-5-[5-(iodomethyl)-5-methyloxolan-2-yl]furan is CC1(CI)CCC(c2ccc(Br)o2)O1.
What is the InChIKey of 2-bromo-5-[5-(iodomethyl)-5-methyloxolan-2-yl]furan?
The InChIKey is RXHCTVUXBDLKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrIO2/c1-10(6-12)5-4-8(14-10)7-2-3-9(11)13-7/h2-3,8H,4-6H2,1H3.
What are the key properties of 2-bromo-5-[5-(iodomethyl)-5-methyloxolan-2-yl]furan?
2-bromo-5-[5-(iodomethyl)-5-methyloxolan-2-yl]furan 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-bromo-5-[5-(iodomethyl)-5-methyloxolan-2-yl]furan is sourced from PubChem (CID 130583392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).