1-hydroxy-6-(trifluoromethyl)benzotriazole

C7H4F3N3O — CID 688194

IUPAC1-hydroxy-6-(trifluoromethyl)benzotriazole
SMILESOn1nnc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)4-1-2-5-6(3-4)13(14)12-11-5/h1-3,14H
InChIKeyDGIBHCWBCOAPDN-UHFFFAOYSA-N
MW203.12 g/mol
LogP1.69
Rot. Bonds

About 1-hydroxy-6-(trifluoromethyl)benzotriazole

1-hydroxy-6-(trifluoromethyl)benzotriazole (PubChem CID 688194) has the molecular formula C7H4F3N3O and a molecular weight of 203.12 g/mol. Its IUPAC name is 1-hydroxy-6-(trifluoromethyl)benzotriazole.

Molecular Properties

Compound Name1-hydroxy-6-(trifluoromethyl)benzotriazole
PubChem CID688194
Molecular FormulaC7H4F3N3O
Molecular Weight203.12 g/mol
Exact Mass203.03
IUPAC Name1-hydroxy-6-(trifluoromethyl)benzotriazole
SMILESOn1nnc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)4-1-2-5-6(3-4)13(14)12-11-5/h1-3,14H
InChIKeyDGIBHCWBCOAPDN-UHFFFAOYSA-N
XLogP1.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-(trifluoromethyl)benzotriazole?
The IUPAC name of 1-hydroxy-6-(trifluoromethyl)benzotriazole (CID 688194) is 1-hydroxy-6-(trifluoromethyl)benzotriazole.
What is the SMILES notation for 1-hydroxy-6-(trifluoromethyl)benzotriazole?
The canonical SMILES for 1-hydroxy-6-(trifluoromethyl)benzotriazole is On1nnc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-hydroxy-6-(trifluoromethyl)benzotriazole?
The InChIKey is DGIBHCWBCOAPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O/c8-7(9,10)4-1-2-5-6(3-4)13(14)12-11-5/h1-3,14H.
What are the key properties of 1-hydroxy-6-(trifluoromethyl)benzotriazole?
1-hydroxy-6-(trifluoromethyl)benzotriazole has a molecular weight of 203.12 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-(trifluoromethyl)benzotriazole is sourced from PubChem (CID 688194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).