2-(2-phenylpropan-2-yl)-5-(trifluoromethyl)benzotriazole

C16H14F3N3 — CID 175350348

IUPAC2-(2-phenylpropan-2-yl)-5-(trifluoromethyl)benzotriazole
SMILESCC(C)(c1ccccc1)n1nc2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C16H14F3N3/c1-15(2,11-6-4-3-5-7-11)22-20-13-9-8-12(16(17,18)19)10-14(13)21-22/h3-10H,1-2H3
InChIKeyFQWXLJZDIFFPFX-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.23
Rot. Bonds2

About 2-(2-phenylpropan-2-yl)-5-(trifluoromethyl)benzotriazole

2-(2-phenylpropan-2-yl)-5-(trifluoromethyl)benzotriazole (PubChem CID 175350348) has the molecular formula C16H14F3N3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-(2-phenylpropan-2-yl)-5-(trifluoromethyl)benzotriazole.

Molecular Properties

Compound Name2-(2-phenylpropan-2-yl)-5-(trifluoromethyl)benzotriazole
PubChem CID175350348
Molecular FormulaC16H14F3N3
Molecular Weight305.30 g/mol
Exact Mass305.11
IUPAC Name2-(2-phenylpropan-2-yl)-5-(trifluoromethyl)benzotriazole
SMILESCC(C)(c1ccccc1)n1nc2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C16H14F3N3/c1-15(2,11-6-4-3-5-7-11)22-20-13-9-8-12(16(17,18)19)10-14(13)21-22/h3-10H,1-2H3
InChIKeyFQWXLJZDIFFPFX-UHFFFAOYSA-N
XLogP4.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropan-2-yl)-5-(trifluoromethyl)benzotriazole?
The IUPAC name of 2-(2-phenylpropan-2-yl)-5-(trifluoromethyl)benzotriazole (CID 175350348) is 2-(2-phenylpropan-2-yl)-5-(trifluoromethyl)benzotriazole.
What is the SMILES notation for 2-(2-phenylpropan-2-yl)-5-(trifluoromethyl)benzotriazole?
The canonical SMILES for 2-(2-phenylpropan-2-yl)-5-(trifluoromethyl)benzotriazole is CC(C)(c1ccccc1)n1nc2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-(2-phenylpropan-2-yl)-5-(trifluoromethyl)benzotriazole?
The InChIKey is FQWXLJZDIFFPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3/c1-15(2,11-6-4-3-5-7-11)22-20-13-9-8-12(16(17,18)19)10-14(13)21-22/h3-10H,1-2H3.
What are the key properties of 2-(2-phenylpropan-2-yl)-5-(trifluoromethyl)benzotriazole?
2-(2-phenylpropan-2-yl)-5-(trifluoromethyl)benzotriazole has a molecular weight of 305.30 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropan-2-yl)-5-(trifluoromethyl)benzotriazole is sourced from PubChem (CID 175350348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).