2-benzyl-5-(trifluoromethyl)benzotriazole

C14H10F3N3 — CID 127035401

IUPAC2-benzyl-5-(trifluoromethyl)benzotriazole
SMILESFC(F)(F)c1ccc2nn(Cc3ccccc3)nc2c1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)11-6-7-12-13(8-11)19-20(18-12)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyPKOYUKRFSANZRX-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.50
Rot. Bonds2

About 2-benzyl-5-(trifluoromethyl)benzotriazole

2-benzyl-5-(trifluoromethyl)benzotriazole (PubChem CID 127035401) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-benzyl-5-(trifluoromethyl)benzotriazole.

Molecular Properties

Compound Name2-benzyl-5-(trifluoromethyl)benzotriazole
PubChem CID127035401
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name2-benzyl-5-(trifluoromethyl)benzotriazole
SMILESFC(F)(F)c1ccc2nn(Cc3ccccc3)nc2c1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)11-6-7-12-13(8-11)19-20(18-12)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyPKOYUKRFSANZRX-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

5-Methyl-1H-benzotriazole
CID 8705
1-Hydroxy-6-(trifluoromethyl)benzotriazole
CID 688194
2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine
CID 822280
5-Butylbenzotriazole
CID 20043962
N-Benzyl-1-aminobenzotriazole
CID 4309
2H-Benzotriazole, 2-phenyl-
CID 154096
1H-Benzotriazole, 6-butyl-, sodium salt (1:1)
CID 44144773
5-(Trifluoromethyl)-1H-1,2,3-Benzotriazole
CID 6409660
1H-Benzotriazole, 1-hydroxy-5-(trifluoromethyl)-
CID 600274
2-Cyclohexyl-2H-benzotriazole
CID 3801568
6-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-1H-benzotriazole
CID 138396392
5-(Trifluoromethyl)benzo-2,1,3-thiadiazole
CID 2777427

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(trifluoromethyl)benzotriazole?
The IUPAC name of 2-benzyl-5-(trifluoromethyl)benzotriazole (CID 127035401) is 2-benzyl-5-(trifluoromethyl)benzotriazole.
What is the SMILES notation for 2-benzyl-5-(trifluoromethyl)benzotriazole?
The canonical SMILES for 2-benzyl-5-(trifluoromethyl)benzotriazole is FC(F)(F)c1ccc2nn(Cc3ccccc3)nc2c1.
What is the InChIKey of 2-benzyl-5-(trifluoromethyl)benzotriazole?
The InChIKey is PKOYUKRFSANZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c15-14(16,17)11-6-7-12-13(8-11)19-20(18-12)9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-benzyl-5-(trifluoromethyl)benzotriazole?
2-benzyl-5-(trifluoromethyl)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 2-benzyl-5-(trifluoromethyl)benzotriazole is sourced from PubChem (CID 127035401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).