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

C10H10BrClO2 — CID 61096362

IUPAC7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
SMILESCC(Br)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C10H10BrClO2/c1-6(11)7-4-9-10(5-8(7)12)14-3-2-13-9/h4-6H,2-3H2,1H3
InChIKeyKJWCZBHHGWXNLV-UHFFFAOYSA-N
MW277.54 g/mol
LogP3.57
Rot. Bonds1

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

7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine (PubChem CID 61096362) has the molecular formula C10H10BrClO2 and a molecular weight of 277.54 g/mol. Its IUPAC name is 7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
PubChem CID61096362
Molecular FormulaC10H10BrClO2
Molecular Weight277.54 g/mol
Exact Mass275.96
IUPAC Name7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
SMILESCC(Br)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C10H10BrClO2/c1-6(11)7-4-9-10(5-8(7)12)14-3-2-13-9/h4-6H,2-3H2,1H3
InChIKeyKJWCZBHHGWXNLV-UHFFFAOYSA-N
XLogP3.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.54
LogP ≤ 53.57
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

(1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 82758605
(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 82759401
6-bromo-7-(1-bromoethyl)-2,3-dihydro-1,4-benzodioxine
CID 61096359
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 61082590
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117356386
7-[bromo-(4-methylphenyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 63445103
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanol
CID 61083339
7-(1-bromohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 63445012
7-[bromo-(3-chloro-4-methylphenyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 63444784
6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922291
N-[(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]acetamide
CID 7471799
6-chloro-7-[(Z)-hept-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922297

Frequently Asked Questions

What is the IUPAC name of 7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine (CID 61096362) is 7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine is CC(Br)c1cc2c(cc1Cl)OCCO2.
What is the InChIKey of 7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine?
The InChIKey is KJWCZBHHGWXNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/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 7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine?
7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine has a molecular weight of 277.54 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 61096362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).