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

C6H7BrO3 — CID 86307616

IUPAC(2S)-3-bromo-2-ethoxy-2H-furan-5-one
SMILESCCO[C@H]1OC(=O)C=C1Br
InChIInChI=1S/C6H7BrO3/c1-2-9-6-4(7)3-5(8)10-6/h3,6H,2H2,1H3/t6-/m0/s1
InChIKeyVPULYXZQTHMKTL-LURJTMIESA-N
MW207.02 g/mol
LogP1.18
Rot. Bonds2

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

(2S)-3-bromo-2-ethoxy-2H-furan-5-one (PubChem CID 86307616) has the molecular formula C6H7BrO3 and a molecular weight of 207.02 g/mol. Its IUPAC name is (2S)-3-bromo-2-ethoxy-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-3-bromo-2-ethoxy-2H-furan-5-one
PubChem CID86307616
Molecular FormulaC6H7BrO3
Molecular Weight207.02 g/mol
Exact Mass205.96
IUPAC Name(2S)-3-bromo-2-ethoxy-2H-furan-5-one
SMILESCCO[C@H]1OC(=O)C=C1Br
InChIInChI=1S/C6H7BrO3/c1-2-9-6-4(7)3-5(8)10-6/h3,6H,2H2,1H3/t6-/m0/s1
InChIKeyVPULYXZQTHMKTL-LURJTMIESA-N
XLogP1.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.02
LogP ≤ 51.18
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-ethoxy-2H-furan-5-one?
The IUPAC name of (2S)-3-bromo-2-ethoxy-2H-furan-5-one (CID 86307616) is (2S)-3-bromo-2-ethoxy-2H-furan-5-one.
What is the SMILES notation for (2S)-3-bromo-2-ethoxy-2H-furan-5-one?
The canonical SMILES for (2S)-3-bromo-2-ethoxy-2H-furan-5-one is CCO[C@H]1OC(=O)C=C1Br.
What is the InChIKey of (2S)-3-bromo-2-ethoxy-2H-furan-5-one?
The InChIKey is VPULYXZQTHMKTL-LURJTMIESA-N. The full InChI is InChI=1S/C6H7BrO3/c1-2-9-6-4(7)3-5(8)10-6/h3,6H,2H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-3-bromo-2-ethoxy-2H-furan-5-one?
(2S)-3-bromo-2-ethoxy-2H-furan-5-one has a molecular weight of 207.02 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-bromo-2-ethoxy-2H-furan-5-one is sourced from PubChem (CID 86307616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).