3-bromo-2-ethoxy-2,5-dihydrofuran

C6H9BrO2 — CID 141346304

IUPAC3-bromo-2-ethoxy-2,5-dihydrofuran
SMILESCCOC1OCC=C1Br
InChIInChI=1S/C6H9BrO2/c1-2-8-6-5(7)3-4-9-6/h3,6H,2,4H2,1H3
InChIKeyCASOPHUYDNULGQ-UHFFFAOYSA-N
MW193.04 g/mol
LogP1.66
Rot. Bonds2

About 3-bromo-2-ethoxy-2,5-dihydrofuran

3-bromo-2-ethoxy-2,5-dihydrofuran (PubChem CID 141346304) has the molecular formula C6H9BrO2 and a molecular weight of 193.04 g/mol. Its IUPAC name is 3-bromo-2-ethoxy-2,5-dihydrofuran.

Molecular Properties

Compound Name3-bromo-2-ethoxy-2,5-dihydrofuran
PubChem CID141346304
Molecular FormulaC6H9BrO2
Molecular Weight193.04 g/mol
Exact Mass191.98
IUPAC Name3-bromo-2-ethoxy-2,5-dihydrofuran
SMILESCCOC1OCC=C1Br
InChIInChI=1S/C6H9BrO2/c1-2-8-6-5(7)3-4-9-6/h3,6H,2,4H2,1H3
InChIKeyCASOPHUYDNULGQ-UHFFFAOYSA-N
XLogP1.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.04
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dihydro-2,5-dimethoxyfuran
CID 78974
2-Bromopropenal diethyl acetal
CID 11805934
2-Methoxy-2,5-dihydrofuran
CID 54372438
1,1-Bis(allyloxy)-2-bromo-2-butene
CID 5469951
AC1Lcug2
CID 637543
3-Bromo-2,5-dimethoxy-2,5-dihydrofuran
CID 11160099
cis-2,5-Dimethoxy-2,5-dihydrofuran
CID 7057910
2-(Bromomethyl)-4,7-dihydro-2H-1,3-dioxepine
CID 10420115
(E)-4-bromo-1,1-dimethoxybut-2-ene
CID 11241001
2,5-Diethoxy-2,5-dihydrofuran
CID 15787793
4-(2,2-Dibromo-1-ethoxypropoxy)buta-1,2-diene
CID 11120583
(E)-1-bromo-3,3-diethoxyprop-1-ene
CID 13513773

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-ethoxy-2,5-dihydrofuran?
The IUPAC name of 3-bromo-2-ethoxy-2,5-dihydrofuran (CID 141346304) is 3-bromo-2-ethoxy-2,5-dihydrofuran.
What is the SMILES notation for 3-bromo-2-ethoxy-2,5-dihydrofuran?
The canonical SMILES for 3-bromo-2-ethoxy-2,5-dihydrofuran is CCOC1OCC=C1Br.
What is the InChIKey of 3-bromo-2-ethoxy-2,5-dihydrofuran?
The InChIKey is CASOPHUYDNULGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrO2/c1-2-8-6-5(7)3-4-9-6/h3,6H,2,4H2,1H3.
What are the key properties of 3-bromo-2-ethoxy-2,5-dihydrofuran?
3-bromo-2-ethoxy-2,5-dihydrofuran has a molecular weight of 193.04 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-ethoxy-2,5-dihydrofuran is sourced from PubChem (CID 141346304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).