3-bromo-2-(1-bromoethenyl)-2H-furan-5-one

C6H4Br2O2 — CID 175576917

IUPAC3-bromo-2-(1-bromoethenyl)-2H-furan-5-one
SMILESC=C(Br)C1OC(=O)C=C1Br
InChIInChI=1S/C6H4Br2O2/c1-3(7)6-4(8)2-5(9)10-6/h2,6H,1H2
InChIKeyDFPQLHQGFRQCEO-UHFFFAOYSA-N
MW267.90 g/mol
LogP2.10
Rot. Bonds1

About 3-bromo-2-(1-bromoethenyl)-2H-furan-5-one

3-bromo-2-(1-bromoethenyl)-2H-furan-5-one (PubChem CID 175576917) has the molecular formula C6H4Br2O2 and a molecular weight of 267.90 g/mol. Its IUPAC name is 3-bromo-2-(1-bromoethenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-bromo-2-(1-bromoethenyl)-2H-furan-5-one
PubChem CID175576917
Molecular FormulaC6H4Br2O2
Molecular Weight267.90 g/mol
Exact Mass265.86
IUPAC Name3-bromo-2-(1-bromoethenyl)-2H-furan-5-one
SMILESC=C(Br)C1OC(=O)C=C1Br
InChIInChI=1S/C6H4Br2O2/c1-3(7)6-4(8)2-5(9)10-6/h2,6H,1H2
InChIKeyDFPQLHQGFRQCEO-UHFFFAOYSA-N
XLogP2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.90
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(1-bromoethenyl)-2H-furan-5-one?
The IUPAC name of 3-bromo-2-(1-bromoethenyl)-2H-furan-5-one (CID 175576917) is 3-bromo-2-(1-bromoethenyl)-2H-furan-5-one.
What is the SMILES notation for 3-bromo-2-(1-bromoethenyl)-2H-furan-5-one?
The canonical SMILES for 3-bromo-2-(1-bromoethenyl)-2H-furan-5-one is C=C(Br)C1OC(=O)C=C1Br.
What is the InChIKey of 3-bromo-2-(1-bromoethenyl)-2H-furan-5-one?
The InChIKey is DFPQLHQGFRQCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2O2/c1-3(7)6-4(8)2-5(9)10-6/h2,6H,1H2.
What are the key properties of 3-bromo-2-(1-bromoethenyl)-2H-furan-5-one?
3-bromo-2-(1-bromoethenyl)-2H-furan-5-one has a molecular weight of 267.90 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(1-bromoethenyl)-2H-furan-5-one is sourced from PubChem (CID 175576917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).