2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole

C98H120F10N12O4 — CID 158778725

IUPAC2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole
SMILESCC(C)c1cn(C)c2ccc(C(F)(F)F)cc12.CC(C)n1c(C(C)(F)F)cc2ccccc21.CC(C)n1ccc2cc(F)c(F)cc21.CC(C)n1ccc2ccc(C(F)(F)F)cc21.COC1CN(C(=O)c2cc(C(C)C)nn2C(C)C)C1.COc1cccc(C(C)C)c1.Cc1cc2c(cc1O)c(C(C)C)cn2C.Cc1nc2n(C(C)C)c3ccccc3n2n1
InChIInChI=1S/C14H23N3O2.C13H14F3N.C13H15F2N.C13H17NO.C12H12F3N.C12H14N4.C11H11F2N.C10H14O/c1-9(2)12-6-13(17(15-12)10(3)4)14(18)16-7-11(8-16)19-5;1-8(2)11-7-17(3)12-5-4-9(6-10(11)12)13(14,15)16;1-9(2)16-11-7-5-4-6-10(11)8-12(16)13(3,14)15;1-8(2)11-7-14(4)12-5-9(3)13(15)6-10(11)12;1-8(2)16-6-5-9-3-4-10(7-11(9)16)12(13,14)15;1-8(2)15-10-6-4-5-7-11(10)16-12(15)13-9(3)14-16;1-7(2)14-4-3-8-5-9(12)10(13)6-11(8)14;1-8(2)9-5-4-6-10(7-9)11-3/h6,9-11H,7-8H2,1-5H3;4-8H,1-3H3;4-9H,1-3H3;5-8,15H,1-4H3;3-8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;4-8H,1-3H3
InChIKeyIQULJWUXBLINPW-UHFFFAOYSA-N
MW1720.10 g/mol
LogP27.16
Rot. Bonds13

About 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole

2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole (PubChem CID 158778725) has the molecular formula C98H120F10N12O4 and a molecular weight of 1720.10 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole
PubChem CID158778725
Molecular FormulaC98H120F10N12O4
Molecular Weight1720.10 g/mol
Exact Mass1718.94
IUPAC Name2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole
SMILESCC(C)c1cn(C)c2ccc(C(F)(F)F)cc12.CC(C)n1c(C(C)(F)F)cc2ccccc21.CC(C)n1ccc2cc(F)c(F)cc21.CC(C)n1ccc2ccc(C(F)(F)F)cc21.COC1CN(C(=O)c2cc(C(C)C)nn2C(C)C)C1.COc1cccc(C(C)C)c1.Cc1cc2c(cc1O)c(C(C)C)cn2C.Cc1nc2n(C(C)C)c3ccccc3n2n1
InChIInChI=1S/C14H23N3O2.C13H14F3N.C13H15F2N.C13H17NO.C12H12F3N.C12H14N4.C11H11F2N.C10H14O/c1-9(2)12-6-13(17(15-12)10(3)4)14(18)16-7-11(8-16)19-5;1-8(2)11-7-17(3)12-5-4-9(6-10(11)12)13(14,15)16;1-9(2)16-11-7-5-4-6-10(11)8-12(16)13(3,14)15;1-8(2)11-7-14(4)12-5-9(3)13(15)6-10(11)12;1-8(2)16-6-5-9-3-4-10(7-11(9)16)12(13,14)15;1-8(2)15-10-6-4-5-7-11(10)16-12(15)13-9(3)14-16;1-7(2)14-4-3-8-5-9(12)10(13)6-11(8)14;1-8(2)9-5-4-6-10(7-9)11-3/h6,9-11H,7-8H2,1-5H3;4-8H,1-3H3;4-9H,1-3H3;5-8,15H,1-4H3;3-8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;4-8H,1-3H3
InChIKeyIQULJWUXBLINPW-UHFFFAOYSA-N
XLogP27.16
TPSA136.59 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms124
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001720.10
LogP ≤ 527.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole?
The IUPAC name of 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole (CID 158778725) is 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole?
The canonical SMILES for 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole is CC(C)c1cn(C)c2ccc(C(F)(F)F)cc12.CC(C)n1c(C(C)(F)F)cc2ccccc21.CC(C)n1ccc2cc(F)c(F)cc21.CC(C)n1ccc2ccc(C(F)(F)F)cc21.COC1CN(C(=O)c2cc(C(C)C)nn2C(C)C)C1.COc1cccc(C(C)C)c1.Cc1cc2c(cc1O)c(C(C)C)cn2C.Cc1nc2n(C(C)C)c3ccccc3n2n1.
What is the InChIKey of 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole?
The InChIKey is IQULJWUXBLINPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.C13H14F3N.C13H15F2N.C13H17NO.C12H12F3N.C12H14N4.C11H11F2N.C10H14O/c1-9(2)12-6-13(17(15-12)10(3)4)14(18)16-7-11(8-16)19-5;1-8(2)11-7-17(3)12-5-4-9(6-10(11)12)13(14,15)16;1-9(2)16-11-7-5-4-6-10(11)8-12(16)13(3,14)15;1-8(2)11-7-14(4)12-5-9(3)13(15)6-10(11)12;1-8(2)16-6-5-9-3-4-10(7-11(9)16)12(13,14)15;1-8(2)15-10-6-4-5-7-11(10)16-12(15)13-9(3)14-16;1-7(2)14-4-3-8-5-9(12)10(13)6-11(8)14;1-8(2)9-5-4-6-10(7-9)11-3/h6,9-11H,7-8H2,1-5H3;4-8H,1-3H3;4-9H,1-3H3;5-8,15H,1-4H3;3-8H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;4-8H,1-3H3.
What are the key properties of 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole?
2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole has a molecular weight of 1720.10 g/mol, XLogP of 27.16, 13 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole is sourced from PubChem (CID 158778725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).