2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole

C145H151F6N5O16 — CID 160844012

About 2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole

2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole (PubChem CID 160844012) has the molecular formula C145H151F6N5O16 and a molecular weight of 2333.81 g/mol. Its IUPAC name is 2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole.

Molecular Properties

• Compound Name: 2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole
• PubChem CID: 160844012
• Molecular Formula: C145H151F6N5O16
• Molecular Weight: 2333.81 g/mol
• Exact Mass: 2332.11
• IUPAC Name: 2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole
• SMILES: Cc1ccc(F)c2c1CCO2.Cc1ccc(F)c2c1OCO2.Cc1ccc2c(c1)CC(=O)N2.Cc1ccc2c(c1)CC=C2.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CCC2=O.Cc1ccc2c(c1)N(C)CC2.Cc1ccc2c(c1)OC(F)(F)O2.Cc1ccc2c(c1)OCO2.Cc1ccc2c(c1F)OCO2.Cc1cccc2[nH]ccc12.Cc1cccc2c1CCN2C.Cc1cccc2c1CCO2.Cc1cccc2c1OC(C)(F)O2.Cc1cccc2c1OCO2.Cc1cccc2c1ccn2C
• InChI: InChI=1S/2C10H13N.C10H11N.C10H10O.C10H12.C10H10.C9H9FO2.C9H9FO.C9H9NO.C9H9N.C9H10O.C8H6F2O2.2C8H7FO2.2C8H8O2/c1-8-3-4-9-5-6-11(2)10(9)7-8;2*1-8-4-3-5-10-9(8)6-7-11(10)2;1-7-2-4-9-8(6-7)3-5-10(9)11;2*1-8-5-6-9-3-2-4-10(9)7-8;1-6-4-3-5-7-8(6)12-9(2,10)11-7;1-6-2-3-8(10)9-7(6)4-5-11-9;1-6-2-3-8-7(4-6)5-9(11)10-8;2*1-7-3-2-4-9-8(7)5-6-10-9;1-5-2-3-6-7(4-5)12-8(9,10)11-6;1-5-2-3-6-8(7(5)9)11-4-10-6;1-5-2-3-6(9)8-7(5)10-4-11-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-3-2-4-7-8(6)10-5-9-7/h3-4,7H,5-6H2,1-2H3;3-5H,6-7H2,1-2H3;3-7H,1-2H3;2,4,6H,3,5H2,1H3;5-7H,2-4H2,1H3;2-3,5-7H,4H2,1H3;3-5H,1-2H3;2-3H,4-5H2,1H3;2-4H,5H2,1H3,(H,10,11);2-6,10H,1H3;2-4H,5-6H2,1H3;2-4H,1H3;2*2-3H,4H2,1H3;2*2-4H,5H2,1H3
• InChIKey: SIKCQWNERRNFII-UHFFFAOYSA-N
• XLogP: 33.50
• TPSA: 202.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2333.81
LogP ≤ 5	33.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole?

The IUPAC name of 2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole (CID 160844012) is 2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole.

What is the SMILES notation for 2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole?

The canonical SMILES for 2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole is Cc1ccc(F)c2c1CCO2.Cc1ccc(F)c2c1OCO2.Cc1ccc2c(c1)CC(=O)N2.Cc1ccc2c(c1)CC=C2.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CCC2=O.Cc1ccc2c(c1)N(C)CC2.Cc1ccc2c(c1)OC(F)(F)O2.Cc1ccc2c(c1)OCO2.Cc1ccc2c(c1F)OCO2.Cc1cccc2[nH]ccc12.Cc1cccc2c1CCN2C.Cc1cccc2c1CCO2.Cc1cccc2c1OC(C)(F)O2.Cc1cccc2c1OCO2.Cc1cccc2c1ccn2C.

What is the InChIKey of 2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole?

The InChIKey is SIKCQWNERRNFII-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13N.C10H11N.C10H10O.C10H12.C10H10.C9H9FO2.C9H9FO.C9H9NO.C9H9N.C9H10O.C8H6F2O2.2C8H7FO2.2C8H8O2/c1-8-3-4-9-5-6-11(2)10(9)7-8;2*1-8-4-3-5-10-9(8)6-7-11(10)2;1-7-2-4-9-8(6-7)3-5-10(9)11;2*1-8-5-6-9-3-2-4-10(9)7-8;1-6-4-3-5-7-8(6)12-9(2,10)11-7;1-6-2-3-8(10)9-7(6)4-5-11-9;1-6-2-3-8-7(4-6)5-9(11)10-8;2*1-7-3-2-4-9-8(7)5-6-10-9;1-5-2-3-6-7(4-5)12-8(9,10)11-6;1-5-2-3-6-8(7(5)9)11-4-10-6;1-5-2-3-6(9)8-7(5)10-4-11-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-3-2-4-7-8(6)10-5-9-7/h3-4,7H,5-6H2,1-2H3;3-5H,6-7H2,1-2H3;3-7H,1-2H3;2,4,6H,3,5H2,1H3;5-7H,2-4H2,1H3;2-3,5-7H,4H2,1H3;3-5H,1-2H3;2-3H,4-5H2,1H3;2-4H,5H2,1H3,(H,10,11);2-6,10H,1H3;2-4H,5-6H2,1H3;2-4H,1H3;2*2-3H,4H2,1H3;2*2-4H,5H2,1H3.

What are the key properties of 2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole?

2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole has a molecular weight of 2333.81 g/mol, XLogP of 33.50, 0 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;2-fluoro-2,4-dimethyl-1,3-benzodioxole;4-fluoro-5-methyl-1,3-benzodioxole;4-fluoro-7-methyl-1,3-benzodioxole;7-fluoro-4-methyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-2,3-dihydro-1-benzofuran;5-methyl-2,3-dihydro-1H-indene;5-methyl-2,3-dihydroinden-1-one;5-methyl-1,3-dihydroindol-2-one;6-methyl-1H-indene;4-methyl-1H-indole is sourced from PubChem (CID 160844012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).