1-fluorobenzotriazol-4-ol

C6H4FN3O — CID 164523235

IUPAC1-fluorobenzotriazol-4-ol
SMILESOc1cccc2c1nnn2F
InChIInChI=1S/C6H4FN3O/c7-10-4-2-1-3-5(11)6(4)8-9-10/h1-3,11H
InChIKeyDQRCALNJULMUSN-UHFFFAOYSA-N
MW153.12 g/mol
LogP0.87
Rot. Bonds

About 1-fluorobenzotriazol-4-ol

1-fluorobenzotriazol-4-ol (PubChem CID 164523235) has the molecular formula C6H4FN3O and a molecular weight of 153.12 g/mol. Its IUPAC name is 1-fluorobenzotriazol-4-ol.

Molecular Properties

Compound Name1-fluorobenzotriazol-4-ol
PubChem CID164523235
Molecular FormulaC6H4FN3O
Molecular Weight153.12 g/mol
Exact Mass153.03
IUPAC Name1-fluorobenzotriazol-4-ol
SMILESOc1cccc2c1nnn2F
InChIInChI=1S/C6H4FN3O/c7-10-4-2-1-3-5(11)6(4)8-9-10/h1-3,11H
InChIKeyDQRCALNJULMUSN-UHFFFAOYSA-N
XLogP0.87
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobenzotriazol-4-ol?
The IUPAC name of 1-fluorobenzotriazol-4-ol (CID 164523235) is 1-fluorobenzotriazol-4-ol.
What is the SMILES notation for 1-fluorobenzotriazol-4-ol?
The canonical SMILES for 1-fluorobenzotriazol-4-ol is Oc1cccc2c1nnn2F.
What is the InChIKey of 1-fluorobenzotriazol-4-ol?
The InChIKey is DQRCALNJULMUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN3O/c7-10-4-2-1-3-5(11)6(4)8-9-10/h1-3,11H.
What are the key properties of 1-fluorobenzotriazol-4-ol?
1-fluorobenzotriazol-4-ol has a molecular weight of 153.12 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobenzotriazol-4-ol is sourced from PubChem (CID 164523235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).