5-(trifluoromethyl)-2H-benzotriazole

C7H4F3N3 — CID 6409660

IUPAC5-(trifluoromethyl)-2H-benzotriazole
SMILESFC(F)(F)c1ccc2n[nH]nc2c1
InChIInChI=1S/C7H4F3N3/c8-7(9,10)4-1-2-5-6(3-4)12-13-11-5/h1-3H,(H,11,12,13)
InChIKeyGLSKMRNRRMNAQS-UHFFFAOYSA-N
MW187.12 g/mol
LogP1.98
Rot. Bonds

About 5-(trifluoromethyl)-2H-benzotriazole

5-(trifluoromethyl)-2H-benzotriazole (PubChem CID 6409660) has the molecular formula C7H4F3N3 and a molecular weight of 187.12 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2H-benzotriazole.

Molecular Properties

Compound Name5-(trifluoromethyl)-2H-benzotriazole
PubChem CID6409660
Molecular FormulaC7H4F3N3
Molecular Weight187.12 g/mol
Exact Mass187.04
IUPAC Name5-(trifluoromethyl)-2H-benzotriazole
SMILESFC(F)(F)c1ccc2n[nH]nc2c1
InChIInChI=1S/C7H4F3N3/c8-7(9,10)4-1-2-5-6(3-4)12-13-11-5/h1-3H,(H,11,12,13)
InChIKeyGLSKMRNRRMNAQS-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2H-benzotriazole?
The IUPAC name of 5-(trifluoromethyl)-2H-benzotriazole (CID 6409660) is 5-(trifluoromethyl)-2H-benzotriazole.
What is the SMILES notation for 5-(trifluoromethyl)-2H-benzotriazole?
The canonical SMILES for 5-(trifluoromethyl)-2H-benzotriazole is FC(F)(F)c1ccc2n[nH]nc2c1.
What is the InChIKey of 5-(trifluoromethyl)-2H-benzotriazole?
The InChIKey is GLSKMRNRRMNAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3/c8-7(9,10)4-1-2-5-6(3-4)12-13-11-5/h1-3H,(H,11,12,13).
What are the key properties of 5-(trifluoromethyl)-2H-benzotriazole?
5-(trifluoromethyl)-2H-benzotriazole has a molecular weight of 187.12 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2H-benzotriazole is sourced from PubChem (CID 6409660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).