5,6-difluoro-1H-2,4,1-benzodioxazine

C7H5F2NO2 — CID 66759615

IUPAC5,6-difluoro-1H-2,4,1-benzodioxazine
SMILESFc1ccc2c(c1F)OCON2
InChIInChI=1S/C7H5F2NO2/c8-4-1-2-5-7(6(4)9)11-3-12-10-5/h1-2,10H,3H2
InChIKeySGTTURQCMNPYDY-UHFFFAOYSA-N
MW173.12 g/mol
LogP1.66
Rot. Bonds

About 5,6-difluoro-1H-2,4,1-benzodioxazine

5,6-difluoro-1H-2,4,1-benzodioxazine (PubChem CID 66759615) has the molecular formula C7H5F2NO2 and a molecular weight of 173.12 g/mol. Its IUPAC name is 5,6-difluoro-1H-2,4,1-benzodioxazine.

Molecular Properties

Compound Name5,6-difluoro-1H-2,4,1-benzodioxazine
PubChem CID66759615
Molecular FormulaC7H5F2NO2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name5,6-difluoro-1H-2,4,1-benzodioxazine
SMILESFc1ccc2c(c1F)OCON2
InChIInChI=1S/C7H5F2NO2/c8-4-1-2-5-7(6(4)9)11-3-12-10-5/h1-2,10H,3H2
InChIKeySGTTURQCMNPYDY-UHFFFAOYSA-N
XLogP1.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1H-2,4,1-benzodioxazine?
The IUPAC name of 5,6-difluoro-1H-2,4,1-benzodioxazine (CID 66759615) is 5,6-difluoro-1H-2,4,1-benzodioxazine.
What is the SMILES notation for 5,6-difluoro-1H-2,4,1-benzodioxazine?
The canonical SMILES for 5,6-difluoro-1H-2,4,1-benzodioxazine is Fc1ccc2c(c1F)OCON2.
What is the InChIKey of 5,6-difluoro-1H-2,4,1-benzodioxazine?
The InChIKey is SGTTURQCMNPYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2/c8-4-1-2-5-7(6(4)9)11-3-12-10-5/h1-2,10H,3H2.
What are the key properties of 5,6-difluoro-1H-2,4,1-benzodioxazine?
5,6-difluoro-1H-2,4,1-benzodioxazine has a molecular weight of 173.12 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1H-2,4,1-benzodioxazine is sourced from PubChem (CID 66759615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).