2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

C16H12BrFO4 — CID 7500205

IUPAC2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
SMILESO=C(COc1ccc(Br)cc1F)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H12BrFO4/c17-11-2-4-14(12(18)8-11)22-9-13(19)10-1-3-15-16(7-10)21-6-5-20-15/h1-4,7-8H,5-6,9H2
InChIKeyUWGIKCGGSFMSFJ-UHFFFAOYSA-N
MW367.17 g/mol
LogP3.62
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone (PubChem CID 7500205) has the molecular formula C16H12BrFO4 and a molecular weight of 367.17 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
PubChem CID7500205
Molecular FormulaC16H12BrFO4
Molecular Weight367.17 g/mol
Exact Mass365.99
IUPAC Name2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
SMILESO=C(COc1ccc(Br)cc1F)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H12BrFO4/c17-11-2-4-14(12(18)8-11)22-9-13(19)10-1-3-15-16(7-10)21-6-5-20-15/h1-4,7-8H,5-6,9H2
InChIKeyUWGIKCGGSFMSFJ-UHFFFAOYSA-N
XLogP3.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.17
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)ethanone
CID 7834366
N-(4-bromo-2-fluorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 134059437
1-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 8022199
[2-(3,4-difluorophenyl)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580054
N'-(4-bromo-2-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275432
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-iodophenoxy)ethanone
CID 7473176
N-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylsulfanylphenyl]acetamide
CID 60515712
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-2-nitrophenoxy)ethanone
CID 8560279
2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 115801790
2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60626920
2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone
CID 63904402
2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone
CID 107100337

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone (CID 7500205) is 2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone is O=C(COc1ccc(Br)cc1F)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The InChIKey is UWGIKCGGSFMSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFO4/c17-11-2-4-14(12(18)8-11)22-9-13(19)10-1-3-15-16(7-10)21-6-5-20-15/h1-4,7-8H,5-6,9H2.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone has a molecular weight of 367.17 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone is sourced from PubChem (CID 7500205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).