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

C11H13F5N2 — CID 90162048

IUPAC4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1CCCC2(F)F
InChIInChI=1S/C11H13F5N2/c1-6(2)18-7-4-3-5-10(12,13)8(7)9(17-18)11(14,15)16/h6H,3-5H2,1-2H3
InChIKeyXLGUIJQDBWOVPP-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.91
Rot. Bonds1

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

4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole (PubChem CID 90162048) has the molecular formula C11H13F5N2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole.

Molecular Properties

Compound Name4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole
PubChem CID90162048
Molecular FormulaC11H13F5N2
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1CCCC2(F)F
InChIInChI=1S/C11H13F5N2/c1-6(2)18-7-4-3-5-10(12,13)8(7)9(17-18)11(14,15)16/h6H,3-5H2,1-2H3
InChIKeyXLGUIJQDBWOVPP-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-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 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole?
The IUPAC name of 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole (CID 90162048) is 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole.
What is the SMILES notation for 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole?
The canonical SMILES for 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole is CC(C)n1nc(C(F)(F)F)c2c1CCCC2(F)F.
What is the InChIKey of 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole?
The InChIKey is XLGUIJQDBWOVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5N2/c1-6(2)18-7-4-3-5-10(12,13)8(7)9(17-18)11(14,15)16/h6H,3-5H2,1-2H3.
What are the key properties of 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole?
4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole has a molecular weight of 268.23 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole is sourced from PubChem (CID 90162048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).