(2S)-3-bromo-2-methoxy-2H-furan-5-one

C5H5BrO3 — CID 86337704

IUPAC(2S)-3-bromo-2-methoxy-2H-furan-5-one
SMILESCO[C@H]1OC(=O)C=C1Br
InChIInChI=1S/C5H5BrO3/c1-8-5-3(6)2-4(7)9-5/h2,5H,1H3/t5-/m0/s1
InChIKeyIXEYLBDMUSTQCD-YFKPBYRVSA-N
MW193.00 g/mol
LogP0.79
Rot. Bonds1

About (2S)-3-bromo-2-methoxy-2H-furan-5-one

(2S)-3-bromo-2-methoxy-2H-furan-5-one (PubChem CID 86337704) has the molecular formula C5H5BrO3 and a molecular weight of 193.00 g/mol. Its IUPAC name is (2S)-3-bromo-2-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-3-bromo-2-methoxy-2H-furan-5-one
PubChem CID86337704
Molecular FormulaC5H5BrO3
Molecular Weight193.00 g/mol
Exact Mass191.94
IUPAC Name(2S)-3-bromo-2-methoxy-2H-furan-5-one
SMILESCO[C@H]1OC(=O)C=C1Br
InChIInChI=1S/C5H5BrO3/c1-8-5-3(6)2-4(7)9-5/h2,5H,1H3/t5-/m0/s1
InChIKeyIXEYLBDMUSTQCD-YFKPBYRVSA-N
XLogP0.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.00
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-bromo-2-methoxy-2H-furan-5-one?
The IUPAC name of (2S)-3-bromo-2-methoxy-2H-furan-5-one (CID 86337704) is (2S)-3-bromo-2-methoxy-2H-furan-5-one.
What is the SMILES notation for (2S)-3-bromo-2-methoxy-2H-furan-5-one?
The canonical SMILES for (2S)-3-bromo-2-methoxy-2H-furan-5-one is CO[C@H]1OC(=O)C=C1Br.
What is the InChIKey of (2S)-3-bromo-2-methoxy-2H-furan-5-one?
The InChIKey is IXEYLBDMUSTQCD-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H5BrO3/c1-8-5-3(6)2-4(7)9-5/h2,5H,1H3/t5-/m0/s1.
What are the key properties of (2S)-3-bromo-2-methoxy-2H-furan-5-one?
(2S)-3-bromo-2-methoxy-2H-furan-5-one has a molecular weight of 193.00 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-bromo-2-methoxy-2H-furan-5-one is sourced from PubChem (CID 86337704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).