6-fluoro-6H-1,2,3-benzotriazin-4-one

C7H4FN3O — CID 77192379

IUPAC6-fluoro-6H-1,2,3-benzotriazin-4-one
SMILESO=C1N=NN=C2C=CC(F)C=C12
InChIInChI=1S/C7H4FN3O/c8-4-1-2-6-5(3-4)7(12)10-11-9-6/h1-4H
InChIKeyIFSAEZZQXQOJFL-UHFFFAOYSA-N
MW165.13 g/mol
LogP1.17
Rot. Bonds

About 6-fluoro-6H-1,2,3-benzotriazin-4-one

6-fluoro-6H-1,2,3-benzotriazin-4-one (PubChem CID 77192379) has the molecular formula C7H4FN3O and a molecular weight of 165.13 g/mol. Its IUPAC name is 6-fluoro-6H-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name6-fluoro-6H-1,2,3-benzotriazin-4-one
PubChem CID77192379
Molecular FormulaC7H4FN3O
Molecular Weight165.13 g/mol
Exact Mass165.03
IUPAC Name6-fluoro-6H-1,2,3-benzotriazin-4-one
SMILESO=C1N=NN=C2C=CC(F)C=C12
InChIInChI=1S/C7H4FN3O/c8-4-1-2-6-5(3-4)7(12)10-11-9-6/h1-4H
InChIKeyIFSAEZZQXQOJFL-UHFFFAOYSA-N
XLogP1.17
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6H-1,2,3-benzotriazin-4-one?
The IUPAC name of 6-fluoro-6H-1,2,3-benzotriazin-4-one (CID 77192379) is 6-fluoro-6H-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 6-fluoro-6H-1,2,3-benzotriazin-4-one?
The canonical SMILES for 6-fluoro-6H-1,2,3-benzotriazin-4-one is O=C1N=NN=C2C=CC(F)C=C12.
What is the InChIKey of 6-fluoro-6H-1,2,3-benzotriazin-4-one?
The InChIKey is IFSAEZZQXQOJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O/c8-4-1-2-6-5(3-4)7(12)10-11-9-6/h1-4H.
What are the key properties of 6-fluoro-6H-1,2,3-benzotriazin-4-one?
6-fluoro-6H-1,2,3-benzotriazin-4-one has a molecular weight of 165.13 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6H-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 77192379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).