6-bromo-7-[bromo-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine

C15H10Br2ClFO2 — CID 63441600

IUPAC6-bromo-7-[bromo-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESFc1cc(Cl)ccc1C(Br)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H10Br2ClFO2/c16-11-7-14-13(20-3-4-21-14)6-10(11)15(17)9-2-1-8(18)5-12(9)19/h1-2,5-7,15H,3-4H2
InChIKeyABRBZXYXLAQJLF-UHFFFAOYSA-N
MW436.50 g/mol
LogP5.50
Rot. Bonds2

About 6-bromo-7-[bromo-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine

6-bromo-7-[bromo-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 63441600) has the molecular formula C15H10Br2ClFO2 and a molecular weight of 436.50 g/mol. Its IUPAC name is 6-bromo-7-[bromo-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-bromo-7-[bromo-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID63441600
Molecular FormulaC15H10Br2ClFO2
Molecular Weight436.50 g/mol
Exact Mass433.87
IUPAC Name6-bromo-7-[bromo-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESFc1cc(Cl)ccc1C(Br)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H10Br2ClFO2/c16-11-7-14-13(20-3-4-21-14)6-10(11)15(17)9-2-1-8(18)5-12(9)19/h1-2,5-7,15H,3-4H2
InChIKeyABRBZXYXLAQJLF-UHFFFAOYSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.50
LogP ≤ 55.50
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

6-bromo-7-[bromo-(2-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 107991736
6-bromo-7-[bromo-(3,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63441557
7-[bromo-(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63436931
6-bromo-7-[bromo-(4-bromo-3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63441639
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-bromo-2-fluorophenyl)methanol
CID 61080809
7-[bromo-(2-fluoro-5-methylphenyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 63444787
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-4-fluorophenyl)methanamine
CID 82873587
6-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,3-dihydro-1,4-benzodioxine
CID 107991454
6-bromo-7-[chloro-(3,5-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63432985
6-bromo-7-[bromo-(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63441147
6-bromo-7-[bromo-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63441059
6-bromo-7-[1-chloro-2-(4-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63433024

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-[bromo-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-bromo-7-[bromo-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine (CID 63441600) is 6-bromo-7-[bromo-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-bromo-7-[bromo-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-bromo-7-[bromo-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine is Fc1cc(Cl)ccc1C(Br)c1cc2c(cc1Br)OCCO2.
What is the InChIKey of 6-bromo-7-[bromo-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is ABRBZXYXLAQJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2ClFO2/c16-11-7-14-13(20-3-4-21-14)6-10(11)15(17)9-2-1-8(18)5-12(9)19/h1-2,5-7,15H,3-4H2.
What are the key properties of 6-bromo-7-[bromo-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
6-bromo-7-[bromo-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 436.50 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-[bromo-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 63441600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).