2-(5-bromofuran-2-yl)-1,3-dioxole

C7H5BrO3 — CID 141434308

IUPAC2-(5-bromofuran-2-yl)-1,3-dioxole
SMILESBrc1ccc(C2OC=CO2)o1
InChIInChI=1S/C7H5BrO3/c8-6-2-1-5(11-6)7-9-3-4-10-7/h1-4,7H
InChIKeyNXBPRACRTANKAZ-UHFFFAOYSA-N
MW217.02 g/mol
LogP2.56
Rot. Bonds1

About 2-(5-bromofuran-2-yl)-1,3-dioxole

2-(5-bromofuran-2-yl)-1,3-dioxole (PubChem CID 141434308) has the molecular formula C7H5BrO3 and a molecular weight of 217.02 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-1,3-dioxole.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-1,3-dioxole
PubChem CID141434308
Molecular FormulaC7H5BrO3
Molecular Weight217.02 g/mol
Exact Mass215.94
IUPAC Name2-(5-bromofuran-2-yl)-1,3-dioxole
SMILESBrc1ccc(C2OC=CO2)o1
InChIInChI=1S/C7H5BrO3/c8-6-2-1-5(11-6)7-9-3-4-10-7/h1-4,7H
InChIKeyNXBPRACRTANKAZ-UHFFFAOYSA-N
XLogP2.56
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.02
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromofuran-2-yl)-1,3-thiazinane
CID 66218265
4-(5-bromofuran-2-yl)piperidine
CID 67469128
(4R)-4-(5-bromofuran-2-yl)-1,3-oxazolidin-2-one
CID 130767129
2-bromo-5-[2-(bromomethyl)cyclopropyl]furan
CID 81351527
[2-(5-bromofuran-2-yl)cyclopropyl]methanol
CID 81358732
[5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol
CID 141171878
3-(5-bromofuran-2-yl)piperidine
CID 82390955
3-[5-(1,3-dioxol-2-yl)furan-2-yl]-1H-indazole
CID 141000395
4-(5-bromofuran-2-yl)-2-methylpiperidine
CID 117258184
2-(5-bromofuran-2-yl)-6-(iodomethyl)oxane
CID 130583334
(3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid
CID 129494056
3-(5-bromofuran-2-yl)-1-methylpiperazine
CID 82664929

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-1,3-dioxole?
The IUPAC name of 2-(5-bromofuran-2-yl)-1,3-dioxole (CID 141434308) is 2-(5-bromofuran-2-yl)-1,3-dioxole.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-1,3-dioxole?
The canonical SMILES for 2-(5-bromofuran-2-yl)-1,3-dioxole is Brc1ccc(C2OC=CO2)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-1,3-dioxole?
The InChIKey is NXBPRACRTANKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO3/c8-6-2-1-5(11-6)7-9-3-4-10-7/h1-4,7H.
What are the key properties of 2-(5-bromofuran-2-yl)-1,3-dioxole?
2-(5-bromofuran-2-yl)-1,3-dioxole has a molecular weight of 217.02 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-1,3-dioxole is sourced from PubChem (CID 141434308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).