2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;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-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole
C143H148F7N7O15 — CID 158002314
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;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-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole
SMILESC=C1Cc2cc(C)ccc2N1.Cc1ccc(F)c2c1CCO2.Cc1ccc(F)c2c1OCO2.Cc1ccc2c(c1)CCC2=O.Cc1ccc2c(c1)N(C)CC2.Cc1ccc2c(c1)NCC2.Cc1ccc2c(c1)OC(F)(F)O2.Cc1ccc2c(c1)OCO2.Cc1ccc2c(c1F)OCO2.Cc1ccc2cc[nH]c2c1.Cc1cccc2[nH]ccc12.Cc1cccc2c1CCN2C.Cc1cccc2c1CCO2.Cc1cccc2c1OC(F)(F)O2.Cc1cccc2c1OCO2.Cc1cccc2c1ccn2C
InChIInChI=1S/C10H11N.2C10H13N.C10H11N.C10H10O.C9H9FO.C9H11N.2C9H9N.C9H10O.2C8H6F2O2.2C8H7FO2.2C8H8O2/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-8-3-4-9-5-6-11(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;1-6-2-3-8(10)9-7(6)4-5-11-9;2*1-7-2-3-8-4-5-10-9(8)6-7;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;1-5-3-2-4-6-7(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/h3-5,11H,2,6H2,1H3;3-4,7H,5-6H2,1-2H3;3-5H,6-7H2,1-2H3;3-7H,1-2H3;2,4,6H,3,5H2,1H3;2-3H,4-5H2,1H3;2-3,6,10H,4-5H2,1H3;2*2-6,10H,1H3;2-4H,5-6H2,1H3;2*2-4H,1H3;2*2-3H,4H2,1H3;2*2-4H,5H2,1H3
InChIKeyFDWMZIGIFYSHBC-UHFFFAOYSA-N
MW2337.78 g/mol
LogP33.78
Rot. Bonds
About 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;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-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole
2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;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-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole (PubChem CID 158002314) has the molecular formula C143H148F7N7O15 and a molecular weight of 2337.78 g/mol. Its IUPAC name is 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;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-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole.
Molecular Properties
| Compound Name | 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;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-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole |
|---|---|
| PubChem CID | 158002314 |
| Molecular Formula | C143H148F7N7O15 |
| Molecular Weight | 2337.78 g/mol |
| Exact Mass | 2336.09 |
| IUPAC Name | 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;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-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole |
| SMILES | C=C1Cc2cc(C)ccc2N1.Cc1ccc(F)c2c1CCO2.Cc1ccc(F)c2c1OCO2.Cc1ccc2c(c1)CCC2=O.Cc1ccc2c(c1)N(C)CC2.Cc1ccc2c(c1)NCC2.Cc1ccc2c(c1)OC(F)(F)O2.Cc1ccc2c(c1)OCO2.Cc1ccc2c(c1F)OCO2.Cc1ccc2cc[nH]c2c1.Cc1cccc2[nH]ccc12.Cc1cccc2c1CCN2C.Cc1cccc2c1CCO2.Cc1cccc2c1OC(F)(F)O2.Cc1cccc2c1OCO2.Cc1cccc2c1ccn2C |
| InChI | InChI=1S/C10H11N.2C10H13N.C10H11N.C10H10O.C9H9FO.C9H11N.2C9H9N.C9H10O.2C8H6F2O2.2C8H7FO2.2C8H8O2/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-8-3-4-9-5-6-11(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;1-6-2-3-8(10)9-7(6)4-5-11-9;2*1-7-2-3-8-4-5-10-9(8)6-7;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;1-5-3-2-4-6-7(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/h3-5,11H,2,6H2,1H3;3-4,7H,5-6H2,1-2H3;3-5H,6-7H2,1-2H3;3-7H,1-2H3;2,4,6H,3,5H2,1H3;2-3H,4-5H2,1H3;2-3,6,10H,4-5H2,1H3;2*2-6,10H,1H3;2-4H,5-6H2,1H3;2*2-4H,1H3;2*2-3H,4H2,1H3;2*2-4H,5H2,1H3 |
| InChIKey | FDWMZIGIFYSHBC-UHFFFAOYSA-N |
| XLogP | 33.78 |
| TPSA | 213.34 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | |
| Heavy Atoms | 172 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2337.78 |
| LogP ≤ 5 | 33.78 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 20 |
Frequently Asked Questions
What is the IUPAC name of 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;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-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole?
The IUPAC name of 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;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-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole (CID 158002314) is 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;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-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole.
What is the SMILES notation for 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;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-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole?
The canonical SMILES for 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;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-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole is C=C1Cc2cc(C)ccc2N1.Cc1ccc(F)c2c1CCO2.Cc1ccc(F)c2c1OCO2.Cc1ccc2c(c1)CCC2=O.Cc1ccc2c(c1)N(C)CC2.Cc1ccc2c(c1)NCC2.Cc1ccc2c(c1)OC(F)(F)O2.Cc1ccc2c(c1)OCO2.Cc1ccc2c(c1F)OCO2.Cc1ccc2cc[nH]c2c1.Cc1cccc2[nH]ccc12.Cc1cccc2c1CCN2C.Cc1cccc2c1CCO2.Cc1cccc2c1OC(F)(F)O2.Cc1cccc2c1OCO2.Cc1cccc2c1ccn2C.
What is the InChIKey of 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;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-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole?
The InChIKey is FDWMZIGIFYSHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.2C10H13N.C10H11N.C10H10O.C9H9FO.C9H11N.2C9H9N.C9H10O.2C8H6F2O2.2C8H7FO2.2C8H8O2/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-8-3-4-9-5-6-11(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;1-6-2-3-8(10)9-7(6)4-5-11-9;2*1-7-2-3-8-4-5-10-9(8)6-7;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;1-5-3-2-4-6-7(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/h3-5,11H,2,6H2,1H3;3-4,7H,5-6H2,1-2H3;3-5H,6-7H2,1-2H3;3-7H,1-2H3;2,4,6H,3,5H2,1H3;2-3H,4-5H2,1H3;2-3,6,10H,4-5H2,1H3;2*2-6,10H,1H3;2-4H,5-6H2,1H3;2*2-4H,1H3;2*2-3H,4H2,1H3;2*2-4H,5H2,1H3.
What are the key properties of 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;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-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole?
2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;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-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole has a molecular weight of 2337.78 g/mol, XLogP of 33.78, 0 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-methyl-1,3-benzodioxole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,4-dimethyl-2,3-dihydroindole;1,6-dimethyl-2,3-dihydroindole;1,4-dimethylindole;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-dihydroinden-1-one;6-methyl-2,3-dihydro-1H-indole;4-methyl-1H-indole;6-methyl-1H-indole;5-methyl-2-methylidene-1,3-dihydroindole is sourced from PubChem (CID 158002314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158002314 — identifiers, structure, computed properties (public domain)
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