3-ethyl-2-methyl-6-(trifluoromethyl)indazole

C11H11F3N2 — CID 59514322

IUPAC3-ethyl-2-methyl-6-(trifluoromethyl)indazole
SMILESCCc1c2ccc(C(F)(F)F)cc2nn1C
InChIInChI=1S/C11H11F3N2/c1-3-10-8-5-4-7(11(12,13)14)6-9(8)15-16(10)2/h4-6H,3H2,1-2H3
InChIKeyHGRNVYLLVOIRFG-UHFFFAOYSA-N
MW228.22 g/mol
LogP3.15
Rot. Bonds1

About 3-ethyl-2-methyl-6-(trifluoromethyl)indazole

3-ethyl-2-methyl-6-(trifluoromethyl)indazole (PubChem CID 59514322) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 3-ethyl-2-methyl-6-(trifluoromethyl)indazole.

Molecular Properties

Compound Name3-ethyl-2-methyl-6-(trifluoromethyl)indazole
PubChem CID59514322
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name3-ethyl-2-methyl-6-(trifluoromethyl)indazole
SMILESCCc1c2ccc(C(F)(F)F)cc2nn1C
InChIInChI=1S/C11H11F3N2/c1-3-10-8-5-4-7(11(12,13)14)6-9(8)15-16(10)2/h4-6H,3H2,1-2H3
InChIKeyHGRNVYLLVOIRFG-UHFFFAOYSA-N
XLogP3.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-6-(trifluoromethyl)indazole?
The IUPAC name of 3-ethyl-2-methyl-6-(trifluoromethyl)indazole (CID 59514322) is 3-ethyl-2-methyl-6-(trifluoromethyl)indazole.
What is the SMILES notation for 3-ethyl-2-methyl-6-(trifluoromethyl)indazole?
The canonical SMILES for 3-ethyl-2-methyl-6-(trifluoromethyl)indazole is CCc1c2ccc(C(F)(F)F)cc2nn1C.
What is the InChIKey of 3-ethyl-2-methyl-6-(trifluoromethyl)indazole?
The InChIKey is HGRNVYLLVOIRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-3-10-8-5-4-7(11(12,13)14)6-9(8)15-16(10)2/h4-6H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-6-(trifluoromethyl)indazole?
3-ethyl-2-methyl-6-(trifluoromethyl)indazole has a molecular weight of 228.22 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-6-(trifluoromethyl)indazole is sourced from PubChem (CID 59514322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).