6,6-dimethyl-3-(trifluoromethyl)-1,7-dihydroindazole

C10H11F3N2 — CID 154405657

IUPAC6,6-dimethyl-3-(trifluoromethyl)-1,7-dihydroindazole
SMILESCC1(C)C=Cc2c(C(F)(F)F)n[nH]c2C1
InChIInChI=1S/C10H11F3N2/c1-9(2)4-3-6-7(5-9)14-15-8(6)10(11,12)13/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyLLOABOLWWOQXOH-UHFFFAOYSA-N
MW216.21 g/mol
LogP3.02
Rot. Bonds

About 6,6-dimethyl-3-(trifluoromethyl)-1,7-dihydroindazole

6,6-dimethyl-3-(trifluoromethyl)-1,7-dihydroindazole (PubChem CID 154405657) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 6,6-dimethyl-3-(trifluoromethyl)-1,7-dihydroindazole.

Molecular Properties

Compound Name6,6-dimethyl-3-(trifluoromethyl)-1,7-dihydroindazole
PubChem CID154405657
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name6,6-dimethyl-3-(trifluoromethyl)-1,7-dihydroindazole
SMILESCC1(C)C=Cc2c(C(F)(F)F)n[nH]c2C1
InChIInChI=1S/C10H11F3N2/c1-9(2)4-3-6-7(5-9)14-15-8(6)10(11,12)13/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyLLOABOLWWOQXOH-UHFFFAOYSA-N
XLogP3.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,6-dimethyl-3-(trifluoromethyl)-1,7-dihydroindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Benzyl-3,5-dimethyl-1H-pyrazole
CID 573277
3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole
CID 5346430
3-[(E)-but-2-en-2-yl]-5-(trifluoromethyl)-1H-pyrazole
CID 89153649
3-Methyl-4-phenyl-5-(trifluoromethyl)-1H-pyrazole
CID 12008482
5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
CID 154716508
5-tert-butyl-3-phenyl-4-(trifluoromethyl)-1H-pyrazole
CID 166438685
5-tert-butyl-4-fluoro-3-phenyl-1H-pyrazole
CID 177853065
4-methyl-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
CID 7147391
4-[(3-fluorophenyl)methyl]-5-methyl-3-propan-2-yl-1H-pyrazole
CID 9834559
4-[(3,5-difluorophenyl)methyl]-5-methyl-3-propan-2-yl-1H-pyrazole
CID 9834801
5-methyl-4-propyl-3-(trifluoromethyl)-1H-pyrazole
CID 21618541
3-(4-tert-butylphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 25110019

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(trifluoromethyl)-1,7-dihydroindazole?
The IUPAC name of 6,6-dimethyl-3-(trifluoromethyl)-1,7-dihydroindazole (CID 154405657) is 6,6-dimethyl-3-(trifluoromethyl)-1,7-dihydroindazole.
What is the SMILES notation for 6,6-dimethyl-3-(trifluoromethyl)-1,7-dihydroindazole?
The canonical SMILES for 6,6-dimethyl-3-(trifluoromethyl)-1,7-dihydroindazole is CC1(C)C=Cc2c(C(F)(F)F)n[nH]c2C1.
What is the InChIKey of 6,6-dimethyl-3-(trifluoromethyl)-1,7-dihydroindazole?
The InChIKey is LLOABOLWWOQXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-9(2)4-3-6-7(5-9)14-15-8(6)10(11,12)13/h3-4H,5H2,1-2H3,(H,14,15).
What are the key properties of 6,6-dimethyl-3-(trifluoromethyl)-1,7-dihydroindazole?
6,6-dimethyl-3-(trifluoromethyl)-1,7-dihydroindazole has a molecular weight of 216.21 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-(trifluoromethyl)-1,7-dihydroindazole is sourced from PubChem (CID 154405657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).