4,6-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4,7-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;1-[4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1-[4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;7-fluoro-1-methyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]indole

C112H137F11N8O10 — CID 158218154

IUPAC4,6-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4,7-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;1-[4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1-[4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;7-fluoro-1-methyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]indole
SMILESCC(=O)n1ccc2c(F)c(OC(C)(C)C)c(F)cc21.CC(=O)n1ccc2c(F)c(OC(C)(C)C)cc(F)c21.Cc1c(C)n(C)c2ccc(OC(C)(C)C)c(F)c12.Cc1c(OC(C)(C)C)ccc2c1ccn2C.Cc1cc2c(F)c(OC(C)(C)C)c(F)cc2n1C.Cc1cc2c(F)c(OC(C)(C)C)cc(F)c2n1C.Cc1cc2c(F)c(OC(C)(C)C)ccc2n1C.Cn1ccc2cc(OC(C)(C)C)cc(F)c21
InChIInChI=1S/C15H20FNO.2C14H15F2NO2.2C14H17F2NO.C14H18FNO.C14H19NO.C13H16FNO/c1-9-10(2)17(6)11-7-8-12(14(16)13(9)11)18-15(3,4)5;1-8(18)17-6-5-9-12(16)11(19-14(2,3)4)7-10(15)13(9)17;1-8(18)17-6-5-9-11(17)7-10(15)13(12(9)16)19-14(2,3)4;1-8-6-9-12(16)11(18-14(2,3)4)7-10(15)13(9)17(8)5;1-8-6-9-11(17(8)5)7-10(15)13(12(9)16)18-14(2,3)4;1-9-8-10-11(16(9)5)6-7-12(13(10)15)17-14(2,3)4;1-10-11-8-9-15(5)12(11)6-7-13(10)16-14(2,3)4;1-13(2,3)16-10-7-9-5-6-15(4)12(9)11(14)8-10/h7-8H,1-6H3;2*5-7H,1-4H3;2*6-7H,1-5H3;6-8H,1-5H3;6-9H,1-5H3;5-8H,1-4H3
InChIKeyGCXMOCZBJVNUIW-UHFFFAOYSA-N
MW1964.35 g/mol
LogP30.47
Rot. Bonds8

About 4,6-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4,7-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;1-[4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1-[4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;7-fluoro-1-methyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]indole

4,6-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4,7-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;1-[4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1-[4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;7-fluoro-1-methyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]indole (PubChem CID 158218154) has the molecular formula C112H137F11N8O10 and a molecular weight of 1964.35 g/mol. Its IUPAC name is 4,6-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4,7-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;1-[4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1-[4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;7-fluoro-1-methyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]indole.

Molecular Properties

Compound Name4,6-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4,7-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;1-[4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1-[4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;7-fluoro-1-methyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]indole
PubChem CID158218154
Molecular FormulaC112H137F11N8O10
Molecular Weight1964.35 g/mol
Exact Mass1963.03
IUPAC Name4,6-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4,7-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;1-[4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1-[4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;7-fluoro-1-methyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]indole
SMILESCC(=O)n1ccc2c(F)c(OC(C)(C)C)c(F)cc21.CC(=O)n1ccc2c(F)c(OC(C)(C)C)cc(F)c21.Cc1c(C)n(C)c2ccc(OC(C)(C)C)c(F)c12.Cc1c(OC(C)(C)C)ccc2c1ccn2C.Cc1cc2c(F)c(OC(C)(C)C)c(F)cc2n1C.Cc1cc2c(F)c(OC(C)(C)C)cc(F)c2n1C.Cc1cc2c(F)c(OC(C)(C)C)ccc2n1C.Cn1ccc2cc(OC(C)(C)C)cc(F)c21
InChIInChI=1S/C15H20FNO.2C14H15F2NO2.2C14H17F2NO.C14H18FNO.C14H19NO.C13H16FNO/c1-9-10(2)17(6)11-7-8-12(14(16)13(9)11)18-15(3,4)5;1-8(18)17-6-5-9-12(16)11(19-14(2,3)4)7-10(15)13(9)17;1-8(18)17-6-5-9-11(17)7-10(15)13(12(9)16)19-14(2,3)4;1-8-6-9-12(16)11(18-14(2,3)4)7-10(15)13(9)17(8)5;1-8-6-9-11(17(8)5)7-10(15)13(12(9)16)18-14(2,3)4;1-9-8-10-11(16(9)5)6-7-12(13(10)15)17-14(2,3)4;1-10-11-8-9-15(5)12(11)6-7-13(10)16-14(2,3)4;1-13(2,3)16-10-7-9-5-6-15(4)12(9)11(14)8-10/h7-8H,1-6H3;2*5-7H,1-4H3;2*6-7H,1-5H3;6-8H,1-5H3;6-9H,1-5H3;5-8H,1-4H3
InChIKeyGCXMOCZBJVNUIW-UHFFFAOYSA-N
XLogP30.47
TPSA147.42 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001964.35
LogP ≤ 530.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 4,6-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4,7-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;1-[4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1-[4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;7-fluoro-1-methyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4,7-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;1-[4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1-[4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;7-fluoro-1-methyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]indole?
The IUPAC name of 4,6-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4,7-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;1-[4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1-[4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;7-fluoro-1-methyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]indole (CID 158218154) is 4,6-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4,7-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;1-[4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1-[4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;7-fluoro-1-methyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]indole.
What is the SMILES notation for 4,6-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4,7-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;1-[4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1-[4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;7-fluoro-1-methyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]indole?
The canonical SMILES for 4,6-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4,7-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;1-[4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1-[4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;7-fluoro-1-methyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]indole is CC(=O)n1ccc2c(F)c(OC(C)(C)C)c(F)cc21.CC(=O)n1ccc2c(F)c(OC(C)(C)C)cc(F)c21.Cc1c(C)n(C)c2ccc(OC(C)(C)C)c(F)c12.Cc1c(OC(C)(C)C)ccc2c1ccn2C.Cc1cc2c(F)c(OC(C)(C)C)c(F)cc2n1C.Cc1cc2c(F)c(OC(C)(C)C)cc(F)c2n1C.Cc1cc2c(F)c(OC(C)(C)C)ccc2n1C.Cn1ccc2cc(OC(C)(C)C)cc(F)c21.
What is the InChIKey of 4,6-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4,7-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;1-[4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1-[4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;7-fluoro-1-methyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]indole?
The InChIKey is GCXMOCZBJVNUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO.2C14H15F2NO2.2C14H17F2NO.C14H18FNO.C14H19NO.C13H16FNO/c1-9-10(2)17(6)11-7-8-12(14(16)13(9)11)18-15(3,4)5;1-8(18)17-6-5-9-12(16)11(19-14(2,3)4)7-10(15)13(9)17;1-8(18)17-6-5-9-11(17)7-10(15)13(12(9)16)19-14(2,3)4;1-8-6-9-12(16)11(18-14(2,3)4)7-10(15)13(9)17(8)5;1-8-6-9-11(17(8)5)7-10(15)13(12(9)16)18-14(2,3)4;1-9-8-10-11(16(9)5)6-7-12(13(10)15)17-14(2,3)4;1-10-11-8-9-15(5)12(11)6-7-13(10)16-14(2,3)4;1-13(2,3)16-10-7-9-5-6-15(4)12(9)11(14)8-10/h7-8H,1-6H3;2*5-7H,1-4H3;2*6-7H,1-5H3;6-8H,1-5H3;6-9H,1-5H3;5-8H,1-4H3.
What are the key properties of 4,6-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4,7-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;1-[4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1-[4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;7-fluoro-1-methyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]indole?
4,6-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4,7-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;1-[4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1-[4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;7-fluoro-1-methyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]indole has a molecular weight of 1964.35 g/mol, XLogP of 30.47, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4,7-difluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;1-[4,6-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1-[4,7-difluoro-5-[(2-methylpropan-2-yl)oxy]indol-1-yl]ethanone;1,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]indole;7-fluoro-1-methyl-5-[(2-methylpropan-2-yl)oxy]indole;4-fluoro-1,2,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]indole is sourced from PubChem (CID 158218154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).