4-(4-bromofuran-3-yl)oxane

C9H11BrO2 — CID 82390774

IUPAC4-(4-bromofuran-3-yl)oxane
SMILESBrc1cocc1C1CCOCC1
InChIInChI=1S/C9H11BrO2/c10-9-6-12-5-8(9)7-1-3-11-4-2-7/h5-7H,1-4H2
InChIKeyUGIDFWGXKOEVEL-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.94
Rot. Bonds1

About 4-(4-bromofuran-3-yl)oxane

4-(4-bromofuran-3-yl)oxane (PubChem CID 82390774) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 4-(4-bromofuran-3-yl)oxane.

Molecular Properties

Compound Name4-(4-bromofuran-3-yl)oxane
PubChem CID82390774
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name4-(4-bromofuran-3-yl)oxane
SMILESBrc1cocc1C1CCOCC1
InChIInChI=1S/C9H11BrO2/c10-9-6-12-5-8(9)7-1-3-11-4-2-7/h5-7H,1-4H2
InChIKeyUGIDFWGXKOEVEL-UHFFFAOYSA-N
XLogP2.94
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-(4,4-dimethylcyclohexyl)furan
CID 82380509
4-(5-bromo-2-chlorophenyl)oxane
CID 172993362
4-(2-bromo-3-fluorophenyl)oxane
CID 117104485
4-bromo-5-(oxan-4-yl)-1H-pyrazole
CID 83711956
5-bromo-2-(oxan-4-yl)pyrimidine
CID 76848543
3-bromo-2-(oxan-4-yl)pyridine
CID 130058346
1-[5-bromo-3-(oxan-4-yl)thiophen-2-yl]-N,N-dimethylmethanamine
CID 165400803
2-bromo-1-methyl-5-(oxan-4-yl)imidazole
CID 117259832
6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66570785
[4-bromo-5-(oxan-4-yl)thiophen-2-yl]methanamine
CID 83845253
4-amino-3-(oxan-4-yl)phenol
CID 117104375
4-bromo-1-(oxan-4-yl)triazole
CID 130138844

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromofuran-3-yl)oxane?
The IUPAC name of 4-(4-bromofuran-3-yl)oxane (CID 82390774) is 4-(4-bromofuran-3-yl)oxane.
What is the SMILES notation for 4-(4-bromofuran-3-yl)oxane?
The canonical SMILES for 4-(4-bromofuran-3-yl)oxane is Brc1cocc1C1CCOCC1.
What is the InChIKey of 4-(4-bromofuran-3-yl)oxane?
The InChIKey is UGIDFWGXKOEVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c10-9-6-12-5-8(9)7-1-3-11-4-2-7/h5-7H,1-4H2.
What are the key properties of 4-(4-bromofuran-3-yl)oxane?
4-(4-bromofuran-3-yl)oxane has a molecular weight of 231.09 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromofuran-3-yl)oxane is sourced from PubChem (CID 82390774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).