6-fluoro-5-methyl-3H-1,2,3-benzodioxazole

C7H6FNO2 — CID 145266889

IUPAC6-fluoro-5-methyl-3H-1,2,3-benzodioxazole
SMILESCc1cc2c(cc1F)OON2
InChIInChI=1S/C7H6FNO2/c1-4-2-6-7(3-5(4)8)10-11-9-6/h2-3,9H,1H3
InChIKeyDRCBIVKUWVOTPE-UHFFFAOYSA-N
MW155.13 g/mol
LogP1.79
Rot. Bonds

About 6-fluoro-5-methyl-3H-1,2,3-benzodioxazole

6-fluoro-5-methyl-3H-1,2,3-benzodioxazole (PubChem CID 145266889) has the molecular formula C7H6FNO2 and a molecular weight of 155.13 g/mol. Its IUPAC name is 6-fluoro-5-methyl-3H-1,2,3-benzodioxazole.

Molecular Properties

Compound Name6-fluoro-5-methyl-3H-1,2,3-benzodioxazole
PubChem CID145266889
Molecular FormulaC7H6FNO2
Molecular Weight155.13 g/mol
Exact Mass155.04
IUPAC Name6-fluoro-5-methyl-3H-1,2,3-benzodioxazole
SMILESCc1cc2c(cc1F)OON2
InChIInChI=1S/C7H6FNO2/c1-4-2-6-7(3-5(4)8)10-11-9-6/h2-3,9H,1H3
InChIKeyDRCBIVKUWVOTPE-UHFFFAOYSA-N
XLogP1.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-3H-1,2,3-benzodioxazole?
The IUPAC name of 6-fluoro-5-methyl-3H-1,2,3-benzodioxazole (CID 145266889) is 6-fluoro-5-methyl-3H-1,2,3-benzodioxazole.
What is the SMILES notation for 6-fluoro-5-methyl-3H-1,2,3-benzodioxazole?
The canonical SMILES for 6-fluoro-5-methyl-3H-1,2,3-benzodioxazole is Cc1cc2c(cc1F)OON2.
What is the InChIKey of 6-fluoro-5-methyl-3H-1,2,3-benzodioxazole?
The InChIKey is DRCBIVKUWVOTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO2/c1-4-2-6-7(3-5(4)8)10-11-9-6/h2-3,9H,1H3.
What are the key properties of 6-fluoro-5-methyl-3H-1,2,3-benzodioxazole?
6-fluoro-5-methyl-3H-1,2,3-benzodioxazole has a molecular weight of 155.13 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-3H-1,2,3-benzodioxazole is sourced from PubChem (CID 145266889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).