6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole

C12H16F4N2 — CID 90162190

IUPAC6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1CC(C)(F)CC2
InChIInChI=1S/C12H16F4N2/c1-7(2)18-9-6-11(3,13)5-4-8(9)10(17-18)12(14,15)16/h7H,4-6H2,1-3H3
InChIKeyACDZLUWLAIMNOM-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.70
Rot. Bonds1

About 6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole

6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole (PubChem CID 90162190) has the molecular formula C12H16F4N2 and a molecular weight of 264.27 g/mol. Its IUPAC name is 6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole.

Molecular Properties

Compound Name6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole
PubChem CID90162190
Molecular FormulaC12H16F4N2
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC Name6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1CC(C)(F)CC2
InChIInChI=1S/C12H16F4N2/c1-7(2)18-9-6-11(3,13)5-4-8(9)10(17-18)12(14,15)16/h7H,4-6H2,1-3H3
InChIKeyACDZLUWLAIMNOM-UHFFFAOYSA-N
XLogP3.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole?
The IUPAC name of 6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole (CID 90162190) is 6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole.
What is the SMILES notation for 6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole?
The canonical SMILES for 6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole is CC(C)n1nc(C(F)(F)F)c2c1CC(C)(F)CC2.
What is the InChIKey of 6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole?
The InChIKey is ACDZLUWLAIMNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2/c1-7(2)18-9-6-11(3,13)5-4-8(9)10(17-18)12(14,15)16/h7H,4-6H2,1-3H3.
What are the key properties of 6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole?
6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole has a molecular weight of 264.27 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole is sourced from PubChem (CID 90162190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).