2,2-dibromo-4,4-dichloro-3-ethoxycyclobutan-1-one

C6H6Br2Cl2O2 — CID 18977721

IUPAC2,2-dibromo-4,4-dichloro-3-ethoxycyclobutan-1-one
SMILESCCOC1C(Cl)(Cl)C(=O)C1(Br)Br
InChIInChI=1S/C6H6Br2Cl2O2/c1-2-12-4-5(7,8)3(11)6(4,9)10/h4H,2H2,1H3
InChIKeyOPIYVAPEENXYJO-UHFFFAOYSA-N
MW340.83 g/mol
LogP2.63
Rot. Bonds2

About 2,2-dibromo-4,4-dichloro-3-ethoxycyclobutan-1-one

2,2-dibromo-4,4-dichloro-3-ethoxycyclobutan-1-one (PubChem CID 18977721) has the molecular formula C6H6Br2Cl2O2 and a molecular weight of 340.83 g/mol. Its IUPAC name is 2,2-dibromo-4,4-dichloro-3-ethoxycyclobutan-1-one.

Molecular Properties

Compound Name2,2-dibromo-4,4-dichloro-3-ethoxycyclobutan-1-one
PubChem CID18977721
Molecular FormulaC6H6Br2Cl2O2
Molecular Weight340.83 g/mol
Exact Mass337.81
IUPAC Name2,2-dibromo-4,4-dichloro-3-ethoxycyclobutan-1-one
SMILESCCOC1C(Cl)(Cl)C(=O)C1(Br)Br
InChIInChI=1S/C6H6Br2Cl2O2/c1-2-12-4-5(7,8)3(11)6(4,9)10/h4H,2H2,1H3
InChIKeyOPIYVAPEENXYJO-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2,4,4-tetrachloro-3-ethoxycyclobutan-1-one
CID 178075114
2-chloro-3-ethoxy-2-methylcyclobutan-1-one
CID 130038321
5-ethoxy-1,3-diazinane-2,4,6-trione
CID 165356464
(2S,3S)-3-chloro-2-ethoxy-1-methyl-4-oxoazetidine-3-carbonitrile
CID 102090917
3,3-dichloro-4-ethoxy-1-(5-methyl-2-pyridinyl)azetidin-2-one
CID 13114240
(1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane
CID 97289325
3-ethoxy-1,3-dihydroindol-2-one
CID 5206883
2-ethoxy-5,5-diethyl-1,3-dioxane-4,6-dione
CID 54553767
3-ethoxy-2-ethyl-2-methylcyclobutan-1-one
CID 65170456
4,4-dichloro-3-ethoxy-2-trimethylgermylcyclobut-2-en-1-one
CID 12539427
(4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one
CID 131848912
2-ethoxy-1,3-dioxane-4,6-dione
CID 53405380

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-4,4-dichloro-3-ethoxycyclobutan-1-one?
The IUPAC name of 2,2-dibromo-4,4-dichloro-3-ethoxycyclobutan-1-one (CID 18977721) is 2,2-dibromo-4,4-dichloro-3-ethoxycyclobutan-1-one.
What is the SMILES notation for 2,2-dibromo-4,4-dichloro-3-ethoxycyclobutan-1-one?
The canonical SMILES for 2,2-dibromo-4,4-dichloro-3-ethoxycyclobutan-1-one is CCOC1C(Cl)(Cl)C(=O)C1(Br)Br.
What is the InChIKey of 2,2-dibromo-4,4-dichloro-3-ethoxycyclobutan-1-one?
The InChIKey is OPIYVAPEENXYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2Cl2O2/c1-2-12-4-5(7,8)3(11)6(4,9)10/h4H,2H2,1H3.
What are the key properties of 2,2-dibromo-4,4-dichloro-3-ethoxycyclobutan-1-one?
2,2-dibromo-4,4-dichloro-3-ethoxycyclobutan-1-one has a molecular weight of 340.83 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-4,4-dichloro-3-ethoxycyclobutan-1-one is sourced from PubChem (CID 18977721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).