3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole

C13H20F2N2 — CID 90162172

IUPAC3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole
SMILESCC(C)n1nc(C(F)F)c2c1C(C)(C)CCC2
InChIInChI=1S/C13H20F2N2/c1-8(2)17-11-9(10(16-17)12(14)15)6-5-7-13(11,3)4/h8,12H,5-7H2,1-4H3
InChIKeyXOPJRSZOQZBPIJ-UHFFFAOYSA-N
MW242.31 g/mol
LogP4.02
Rot. Bonds2

About 3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole

3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole (PubChem CID 90162172) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole.

Molecular Properties

Compound Name3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole
PubChem CID90162172
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole
SMILESCC(C)n1nc(C(F)F)c2c1C(C)(C)CCC2
InChIInChI=1S/C13H20F2N2/c1-8(2)17-11-9(10(16-17)12(14)15)6-5-7-13(11,3)4/h8,12H,5-7H2,1-4H3
InChIKeyXOPJRSZOQZBPIJ-UHFFFAOYSA-N
XLogP4.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole?
The IUPAC name of 3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole (CID 90162172) is 3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole.
What is the SMILES notation for 3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole?
The canonical SMILES for 3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole is CC(C)n1nc(C(F)F)c2c1C(C)(C)CCC2.
What is the InChIKey of 3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole?
The InChIKey is XOPJRSZOQZBPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-8(2)17-11-9(10(16-17)12(14)15)6-5-7-13(11,3)4/h8,12H,5-7H2,1-4H3.
What are the key properties of 3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole?
3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole has a molecular weight of 242.31 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole is sourced from PubChem (CID 90162172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).