2-[4-(trifluoromethyl)phenyl]benzotriazole

C13H8F3N3 — CID 11564265

IUPAC2-[4-(trifluoromethyl)phenyl]benzotriazole
SMILESFC(F)(F)c1ccc(-n2nc3ccccc3n2)cc1
InChIInChI=1S/C13H8F3N3/c14-13(15,16)9-5-7-10(8-6-9)19-17-11-3-1-2-4-12(11)18-19/h1-8H
InChIKeyNVTPHHLZJIWCPT-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.44
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]benzotriazole

2-[4-(trifluoromethyl)phenyl]benzotriazole (PubChem CID 11564265) has the molecular formula C13H8F3N3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]benzotriazole.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]benzotriazole
PubChem CID11564265
Molecular FormulaC13H8F3N3
Molecular Weight263.22 g/mol
Exact Mass263.07
IUPAC Name2-[4-(trifluoromethyl)phenyl]benzotriazole
SMILESFC(F)(F)c1ccc(-n2nc3ccccc3n2)cc1
InChIInChI=1S/C13H8F3N3/c14-13(15,16)9-5-7-10(8-6-9)19-17-11-3-1-2-4-12(11)18-19/h1-8H
InChIKeyNVTPHHLZJIWCPT-UHFFFAOYSA-N
XLogP3.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]benzotriazole?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]benzotriazole (CID 11564265) is 2-[4-(trifluoromethyl)phenyl]benzotriazole.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]benzotriazole?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]benzotriazole is FC(F)(F)c1ccc(-n2nc3ccccc3n2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]benzotriazole?
The InChIKey is NVTPHHLZJIWCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3/c14-13(15,16)9-5-7-10(8-6-9)19-17-11-3-1-2-4-12(11)18-19/h1-8H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]benzotriazole?
2-[4-(trifluoromethyl)phenyl]benzotriazole has a molecular weight of 263.22 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]benzotriazole is sourced from PubChem (CID 11564265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).