5-fluorobenzotriazol-2-ide

C6H3FN3- — CID 153493309

IUPAC5-fluorobenzotriazol-2-ide
SMILESFc1ccc2n[n-]nc2c1
InChIInChI=1S/C6H3FN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H/q-1
InChIKeyGGOFHBLAGJUEKJ-UHFFFAOYSA-N
MW136.11 g/mol
LogP0.73
Rot. Bonds

About 5-fluorobenzotriazol-2-ide

5-fluorobenzotriazol-2-ide (PubChem CID 153493309) has the molecular formula C6H3FN3- and a molecular weight of 136.11 g/mol. Its IUPAC name is 5-fluorobenzotriazol-2-ide.

Molecular Properties

Compound Name5-fluorobenzotriazol-2-ide
PubChem CID153493309
Molecular FormulaC6H3FN3-
Molecular Weight136.11 g/mol
Exact Mass136.03
IUPAC Name5-fluorobenzotriazol-2-ide
SMILESFc1ccc2n[n-]nc2c1
InChIInChI=1S/C6H3FN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H/q-1
InChIKeyGGOFHBLAGJUEKJ-UHFFFAOYSA-N
XLogP0.73
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluorobenzotriazol-2-ide?
The IUPAC name of 5-fluorobenzotriazol-2-ide (CID 153493309) is 5-fluorobenzotriazol-2-ide.
What is the SMILES notation for 5-fluorobenzotriazol-2-ide?
The canonical SMILES for 5-fluorobenzotriazol-2-ide is Fc1ccc2n[n-]nc2c1.
What is the InChIKey of 5-fluorobenzotriazol-2-ide?
The InChIKey is GGOFHBLAGJUEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H/q-1.
What are the key properties of 5-fluorobenzotriazol-2-ide?
5-fluorobenzotriazol-2-ide has a molecular weight of 136.11 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorobenzotriazol-2-ide is sourced from PubChem (CID 153493309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).