7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine

C8H6BrFO2 — CID 68601177

IUPAC7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine
SMILESFc1cc(Br)cc2c1OCCO2
InChIInChI=1S/C8H6BrFO2/c9-5-3-6(10)8-7(4-5)11-1-2-12-8/h3-4H,1-2H2
InChIKeyRVFFKSCEEAHWKX-UHFFFAOYSA-N
MW233.04 g/mol
LogP2.36
Rot. Bonds

About 7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine

7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine (PubChem CID 68601177) has the molecular formula C8H6BrFO2 and a molecular weight of 233.04 g/mol. Its IUPAC name is 7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine
PubChem CID68601177
Molecular FormulaC8H6BrFO2
Molecular Weight233.04 g/mol
Exact Mass231.95
IUPAC Name7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine
SMILESFc1cc(Br)cc2c1OCCO2
InChIInChI=1S/C8H6BrFO2/c9-5-3-6(10)8-7(4-5)11-1-2-12-8/h3-4H,1-2H2
InChIKeyRVFFKSCEEAHWKX-UHFFFAOYSA-N
XLogP2.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine (CID 68601177) is 7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine is Fc1cc(Br)cc2c1OCCO2.
What is the InChIKey of 7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine?
The InChIKey is RVFFKSCEEAHWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO2/c9-5-3-6(10)8-7(4-5)11-1-2-12-8/h3-4H,1-2H2.
What are the key properties of 7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine?
7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine has a molecular weight of 233.04 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 68601177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).