2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole

C11H10BrFO3 — CID 141333473

IUPAC2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole
SMILESCCOc1ccc(Br)c(C2OC=CO2)c1F
InChIInChI=1S/C11H10BrFO3/c1-2-14-8-4-3-7(12)9(10(8)13)11-15-5-6-16-11/h3-6,11H,2H2,1H3
InChIKeyDTXYQXRDTFPYRS-UHFFFAOYSA-N
MW289.10 g/mol
LogP3.50
Rot. Bonds3

About 2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole

2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole (PubChem CID 141333473) has the molecular formula C11H10BrFO3 and a molecular weight of 289.10 g/mol. Its IUPAC name is 2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole.

Molecular Properties

Compound Name2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole
PubChem CID141333473
Molecular FormulaC11H10BrFO3
Molecular Weight289.10 g/mol
Exact Mass287.98
IUPAC Name2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole
SMILESCCOc1ccc(Br)c(C2OC=CO2)c1F
InChIInChI=1S/C11H10BrFO3/c1-2-14-8-4-3-7(12)9(10(8)13)11-15-5-6-16-11/h3-6,11H,2H2,1H3
InChIKeyDTXYQXRDTFPYRS-UHFFFAOYSA-N
XLogP3.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-3-ethoxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164512724
[(6-bromo-2,3-difluorophenyl)-(6-bromo-3-ethoxy-2-fluorophenyl)methoxy]-trimethylsilane;2-ethoxy-1,7,8-trifluoro-9H-fluoren-9-ol
CID 160856596
2-(6-bromo-3-ethoxy-2-fluorophenyl)pentan-2-ol
CID 171366450
ethyl 2-(6-bromo-3-ethoxy-2-fluorophenyl)-2-oxoacetate
CID 171368276
(4-ethoxy-2,3-difluorophenyl)-trimethylsilane
CID 15751975
1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
CID 171000857
1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
(1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417812
8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417517
1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 158664029
2-(4-ethoxy-2,3-difluorophenyl)-5-methyl-3,4-dihydro-2H-pyran
CID 118360737
6-bromo-5-chloro-9-ethoxy-1,2,4,5-tetrahydro-3-benzoxepine
CID 62735459

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole?
The IUPAC name of 2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole (CID 141333473) is 2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole.
What is the SMILES notation for 2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole?
The canonical SMILES for 2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole is CCOc1ccc(Br)c(C2OC=CO2)c1F.
What is the InChIKey of 2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole?
The InChIKey is DTXYQXRDTFPYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO3/c1-2-14-8-4-3-7(12)9(10(8)13)11-15-5-6-16-11/h3-6,11H,2H2,1H3.
What are the key properties of 2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole?
2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole has a molecular weight of 289.10 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole is sourced from PubChem (CID 141333473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).