1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazole

C11H10F3N3 — CID 70977933

IUPAC1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazole
SMILESFC(F)(F)c1cccc2c1nnn2CC1CC1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)8-2-1-3-9-10(8)15-16-17(9)6-7-4-5-7/h1-3,7H,4-6H2
InChIKeyZLNSGYSEJVMKQS-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.86
Rot. Bonds2

About 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazole

1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazole (PubChem CID 70977933) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazole
PubChem CID70977933
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazole
SMILESFC(F)(F)c1cccc2c1nnn2CC1CC1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)8-2-1-3-9-10(8)15-16-17(9)6-7-4-5-7/h1-3,7H,4-6H2
InChIKeyZLNSGYSEJVMKQS-UHFFFAOYSA-N
XLogP2.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazole?
The IUPAC name of 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazole (CID 70977933) is 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazole?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazole is FC(F)(F)c1cccc2c1nnn2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazole?
The InChIKey is ZLNSGYSEJVMKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)8-2-1-3-9-10(8)15-16-17(9)6-7-4-5-7/h1-3,7H,4-6H2.
What are the key properties of 1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazole?
1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazole has a molecular weight of 241.22 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-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazole is sourced from PubChem (CID 70977933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).