6-bromo-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine

C6H6BrNO2 — CID 98011315

IUPAC6-bromo-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine
SMILESBrc1cc2c(o1)NCCO2
InChIInChI=1S/C6H6BrNO2/c7-5-3-4-6(10-5)8-1-2-9-4/h3,8H,1-2H2
InChIKeyVTAPAIQVSFHJGH-UHFFFAOYSA-N
MW204.02 g/mol
LogP1.85
Rot. Bonds

About 6-bromo-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine

6-bromo-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine (PubChem CID 98011315) has the molecular formula C6H6BrNO2 and a molecular weight of 204.02 g/mol. Its IUPAC name is 6-bromo-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name6-bromo-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine
PubChem CID98011315
Molecular FormulaC6H6BrNO2
Molecular Weight204.02 g/mol
Exact Mass202.96
IUPAC Name6-bromo-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine
SMILESBrc1cc2c(o1)NCCO2
InChIInChI=1S/C6H6BrNO2/c7-5-3-4-6(10-5)8-1-2-9-4/h3,8H,1-2H2
InChIKeyVTAPAIQVSFHJGH-UHFFFAOYSA-N
XLogP1.85
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.02
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine?
The IUPAC name of 6-bromo-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine (CID 98011315) is 6-bromo-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine.
What is the SMILES notation for 6-bromo-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine?
The canonical SMILES for 6-bromo-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine is Brc1cc2c(o1)NCCO2.
What is the InChIKey of 6-bromo-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine?
The InChIKey is VTAPAIQVSFHJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO2/c7-5-3-4-6(10-5)8-1-2-9-4/h3,8H,1-2H2.
What are the key properties of 6-bromo-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine?
6-bromo-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine has a molecular weight of 204.02 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine is sourced from PubChem (CID 98011315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).