1-propyl-6-(trifluoromethyl)benzotriazole

C10H10F3N3 — CID 134298697

IUPAC1-propyl-6-(trifluoromethyl)benzotriazole
SMILESCCCn1nnc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H10F3N3/c1-2-5-16-9-6-7(10(11,12)13)3-4-8(9)14-15-16/h3-4,6H,2,5H2,1H3
InChIKeyROYVBZAWMOJRGG-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.86
Rot. Bonds2

About 1-propyl-6-(trifluoromethyl)benzotriazole

1-propyl-6-(trifluoromethyl)benzotriazole (PubChem CID 134298697) has the molecular formula C10H10F3N3 and a molecular weight of 229.21 g/mol. Its IUPAC name is 1-propyl-6-(trifluoromethyl)benzotriazole.

Molecular Properties

Compound Name1-propyl-6-(trifluoromethyl)benzotriazole
PubChem CID134298697
Molecular FormulaC10H10F3N3
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name1-propyl-6-(trifluoromethyl)benzotriazole
SMILESCCCn1nnc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H10F3N3/c1-2-5-16-9-6-7(10(11,12)13)3-4-8(9)14-15-16/h3-4,6H,2,5H2,1H3
InChIKeyROYVBZAWMOJRGG-UHFFFAOYSA-N
XLogP2.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-octyl-N-[[6-(trifluoromethyl)benzotriazol-1-yl]methyl]octan-1-amine
CID 134298706
6-(trifluoromethyl)benzotriazol-1-amine
CID 123807461
2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetic acid
CID 45034960
2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697159
2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole
CID 156865270
2-[(1-methylimidazol-2-yl)methylsulfanyl]-1-propyl-6-(trifluoromethyl)benzimidazole
CID 52662321
1-(3-chloropropyl)-6-fluorobenzotriazole
CID 118386847
2-(3-methylbenzotriazol-5-yl)propan-2-ol
CID 117282413
2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310677
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310801
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide
CID 86252735

Frequently Asked Questions

What is the IUPAC name of 1-propyl-6-(trifluoromethyl)benzotriazole?
The IUPAC name of 1-propyl-6-(trifluoromethyl)benzotriazole (CID 134298697) is 1-propyl-6-(trifluoromethyl)benzotriazole.
What is the SMILES notation for 1-propyl-6-(trifluoromethyl)benzotriazole?
The canonical SMILES for 1-propyl-6-(trifluoromethyl)benzotriazole is CCCn1nnc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-propyl-6-(trifluoromethyl)benzotriazole?
The InChIKey is ROYVBZAWMOJRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c1-2-5-16-9-6-7(10(11,12)13)3-4-8(9)14-15-16/h3-4,6H,2,5H2,1H3.
What are the key properties of 1-propyl-6-(trifluoromethyl)benzotriazole?
1-propyl-6-(trifluoromethyl)benzotriazole has a molecular weight of 229.21 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-6-(trifluoromethyl)benzotriazole is sourced from PubChem (CID 134298697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).