4-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-indazole

C17H10F6N2O3S — CID 122544459

IUPAC4-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-indazole
SMILESO=S(=O)(c1ccc(Oc2ccc(F)c3[nH]ncc23)c2c1CC(F)(F)C2)C(F)(F)F
InChIInChI=1S/C17H10F6N2O3S/c18-11-1-2-13(10-7-24-25-15(10)11)28-12-3-4-14(29(26,27)17(21,22)23)9-6-16(19,20)5-8(9)12/h1-4,7H,5-6H2,(H,24,25)
InChIKeyGYEGMWDYEVFFBD-UHFFFAOYSA-N
MW436.33 g/mol
LogP4.52
Rot. Bonds3

About 4-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-indazole

4-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-indazole (PubChem CID 122544459) has the molecular formula C17H10F6N2O3S and a molecular weight of 436.33 g/mol. Its IUPAC name is 4-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-indazole.

Molecular Properties

Compound Name4-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-indazole
PubChem CID122544459
Molecular FormulaC17H10F6N2O3S
Molecular Weight436.33 g/mol
Exact Mass436.03
IUPAC Name4-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-indazole
SMILESO=S(=O)(c1ccc(Oc2ccc(F)c3[nH]ncc23)c2c1CC(F)(F)C2)C(F)(F)F
InChIInChI=1S/C17H10F6N2O3S/c18-11-1-2-13(10-7-24-25-15(10)11)28-12-3-4-14(29(26,27)17(21,22)23)9-6-16(19,20)5-8(9)12/h1-4,7H,5-6H2,(H,24,25)
InChIKeyGYEGMWDYEVFFBD-UHFFFAOYSA-N
XLogP4.52
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.33
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-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-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-indazole?
The IUPAC name of 4-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-indazole (CID 122544459) is 4-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-indazole.
What is the SMILES notation for 4-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-indazole?
The canonical SMILES for 4-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-indazole is O=S(=O)(c1ccc(Oc2ccc(F)c3[nH]ncc23)c2c1CC(F)(F)C2)C(F)(F)F.
What is the InChIKey of 4-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-indazole?
The InChIKey is GYEGMWDYEVFFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2O3S/c18-11-1-2-13(10-7-24-25-15(10)11)28-12-3-4-14(29(26,27)17(21,22)23)9-6-16(19,20)5-8(9)12/h1-4,7H,5-6H2,(H,24,25).
What are the key properties of 4-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-indazole?
4-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-indazole has a molecular weight of 436.33 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-indazole is sourced from PubChem (CID 122544459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).