6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine

C10H10Br2O2 — CID 61096359

IUPAC6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine
SMILESCC(Br)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C10H10Br2O2/c1-6(11)7-4-9-10(5-8(7)12)14-3-2-13-9/h4-6H,2-3H2,1H3
InChIKeyCWMKCOZAKMKZQP-UHFFFAOYSA-N
MW322.00 g/mol
LogP3.68
Rot. Bonds1

About 6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine

6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 61096359) has the molecular formula C10H10Br2O2 and a molecular weight of 322.00 g/mol. Its IUPAC name is 6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine
PubChem CID61096359
Molecular FormulaC10H10Br2O2
Molecular Weight322.00 g/mol
Exact Mass319.90
IUPAC Name6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine
SMILESCC(Br)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C10H10Br2O2/c1-6(11)7-4-9-10(5-8(7)12)14-3-2-13-9/h4-6H,2-3H2,1H3
InChIKeyCWMKCOZAKMKZQP-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 53.68
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

7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 61096362
7-bromo-8-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine
CID 84712960
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 105424219
6-bromo-7-(1-bromo-2-methylsulfonylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 113422371
6-bromo-7-(1-chloro-4-methylpentyl)-2,3-dihydro-1,4-benzodioxine
CID 63433116
6-bromo-7-[bromo-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63441059
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine
CID 43131945
6-bromo-7-[bromo-(2,4,5-trimethylfuran-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 65152583
7-bromo-8-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 63433286
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-ethyl-2-methylbutan-1-amine
CID 43492661
7-bromo-8-(1-chloro-2-methylsulfonylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 104521368
6-bromo-7-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 107991736

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine (CID 61096359) is 6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine is CC(Br)c1cc2c(cc1Br)OCCO2.
What is the InChIKey of 6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is CWMKCOZAKMKZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O2/c1-6(11)7-4-9-10(5-8(7)12)14-3-2-13-9/h4-6H,2-3H2,1H3.
What are the key properties of 6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine?
6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 322.00 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 61096359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).