1-[[3-(trifluoromethyl)phenyl]methyl]benzotriazole

C14H10F3N3 — CID 4652156

IUPAC1-[[3-(trifluoromethyl)phenyl]methyl]benzotriazole
SMILESFC(F)(F)c1cccc(Cn2nnc3ccccc32)c1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)11-5-3-4-10(8-11)9-20-13-7-2-1-6-12(13)18-19-20/h1-8H,9H2
InChIKeyVAPQCPUFLSHLPG-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.50
Rot. Bonds2

About 1-[[3-(trifluoromethyl)phenyl]methyl]benzotriazole

1-[[3-(trifluoromethyl)phenyl]methyl]benzotriazole (PubChem CID 4652156) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methyl]benzotriazole.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methyl]benzotriazole
PubChem CID4652156
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methyl]benzotriazole
SMILESFC(F)(F)c1cccc(Cn2nnc3ccccc32)c1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)11-5-3-4-10(8-11)9-20-13-7-2-1-6-12(13)18-19-20/h1-8H,9H2
InChIKeyVAPQCPUFLSHLPG-UHFFFAOYSA-N
XLogP3.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-1H-benzotriazole
CID 521212
1-Ethylbenzotriazole
CID 27939
1-Phenethyl-1H-benzo[d][1,2,3]triazole
CID 733621
1-[(4-Fluorophenyl)methyl]benzotriazole
CID 733622
1-(3-Phenyl-2-propyn-1-yl)-1H-benzotriazole
CID 609250
1-[(4-Phenylphenyl)methyl]benzotriazole
CID 7504549
1-Benzyl-4-bromo-1H-benzo[d][1,2,3]triazole
CID 146036869
1-[[4-[2-Fluoro-4-(trifluoromethyl)phenyl]phenyl]methyl]benzotriazole
CID 155525998
4-Bromo-1-[(4-fluorophenyl)methyl]benzotriazole
CID 155534303
1-[[4-(2,4-Difluorophenyl)phenyl]methyl]benzotriazole
CID 155549028
4-Bromo-1-[(2-fluorophenyl)methyl]benzotriazole
CID 155552204
1-[[4-[2-Chloro-4-(trifluoromethyl)phenyl]phenyl]methyl]benzotriazole
CID 155560423

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]benzotriazole?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]benzotriazole (CID 4652156) is 1-[[3-(trifluoromethyl)phenyl]methyl]benzotriazole.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methyl]benzotriazole?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methyl]benzotriazole is FC(F)(F)c1cccc(Cn2nnc3ccccc32)c1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methyl]benzotriazole?
The InChIKey is VAPQCPUFLSHLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c15-14(16,17)11-5-3-4-10(8-11)9-20-13-7-2-1-6-12(13)18-19-20/h1-8H,9H2.
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methyl]benzotriazole?
1-[[3-(trifluoromethyl)phenyl]methyl]benzotriazole has a molecular weight of 277.25 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenyl]methyl]benzotriazole is sourced from PubChem (CID 4652156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).