3-(difluoromethyl)-2-methylthiophene;1,2-dimethylindole;3-ethyl-2-methylthiophene;2-methyl-2,3,3a,7a-tetrahydro-1-benzofuran;2-methyl-1-benzofuran;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-1H-indole;3-methyl-1H-indole;2,3,5-trimethylthiophene

C75H85F2N3O4S3 — CID 159278395

About 3-(difluoromethyl)-2-methylthiophene;1,2-dimethylindole;3-ethyl-2-methylthiophene;2-methyl-2,3,3a,7a-tetrahydro-1-benzofuran;2-methyl-1-benzofuran;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-1H-indole;3-methyl-1H-indole;2,3,5-trimethylthiophene

3-(difluoromethyl)-2-methylthiophene;1,2-dimethylindole;3-ethyl-2-methylthiophene;2-methyl-2,3,3a,7a-tetrahydro-1-benzofuran;2-methyl-1-benzofuran;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-1H-indole;3-methyl-1H-indole;2,3,5-trimethylthiophene (PubChem CID 159278395) has the molecular formula C75H85F2N3O4S3 and a molecular weight of 1226.72 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-methylthiophene;1,2-dimethylindole;3-ethyl-2-methylthiophene;2-methyl-2,3,3a,7a-tetrahydro-1-benzofuran;2-methyl-1-benzofuran;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-1H-indole;3-methyl-1H-indole;2,3,5-trimethylthiophene.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-2-methylthiophene;1,2-dimethylindole;3-ethyl-2-methylthiophene;2-methyl-2,3,3a,7a-tetrahydro-1-benzofuran;2-methyl-1-benzofuran;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-1H-indole;3-methyl-1H-indole;2,3,5-trimethylthiophene
• PubChem CID: 159278395
• Molecular Formula: C75H85F2N3O4S3
• Molecular Weight: 1226.72 g/mol
• Exact Mass: 1225.57
• IUPAC Name: 3-(difluoromethyl)-2-methylthiophene;1,2-dimethylindole;3-ethyl-2-methylthiophene;2-methyl-2,3,3a,7a-tetrahydro-1-benzofuran;2-methyl-1-benzofuran;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-1H-indole;3-methyl-1H-indole;2,3,5-trimethylthiophene
• SMILES: CC1CC2C=CC=CC2O1.CC1COc2ccccc2O1.CCc1ccsc1C.Cc1c[nH]c2ccccc12.Cc1cc(C)c(C)s1.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2n1C.Cc1cc2ccccc2o1.Cc1sccc1C(F)F
• InChI: InChI=1S/C10H11N.2C9H9N.C9H10O2.C9H12O.C9H8O.2C7H10S.C6H6F2S/c1-8-7-9-5-3-4-6-10(9)11(8)2;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-8-4-2-3-5-9(8)11-7;2*1-7-6-8-4-2-3-5-9(8)10-7;1-5-4-6(2)8-7(5)3;1-3-7-4-5-8-6(7)2;1-4-5(6(7)8)2-3-9-4/h3-7H,1-2H3;2*2-6,10H,1H3;2-5,7H,6H2,1H3;2-5,7-9H,6H2,1H3;2-6H,1H3;4H,1-3H3;4-5H,3H2,1-2H3;2-3,6H,1H3
• InChIKey: KYPHZUQROIUYJF-UHFFFAOYSA-N
• XLogP: 22.22
• TPSA: 77.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1226.72
LogP ≤ 5	22.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-methylthiophene;1,2-dimethylindole;3-ethyl-2-methylthiophene;2-methyl-2,3,3a,7a-tetrahydro-1-benzofuran;2-methyl-1-benzofuran;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-1H-indole;3-methyl-1H-indole;2,3,5-trimethylthiophene?

The IUPAC name of 3-(difluoromethyl)-2-methylthiophene;1,2-dimethylindole;3-ethyl-2-methylthiophene;2-methyl-2,3,3a,7a-tetrahydro-1-benzofuran;2-methyl-1-benzofuran;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-1H-indole;3-methyl-1H-indole;2,3,5-trimethylthiophene (CID 159278395) is 3-(difluoromethyl)-2-methylthiophene;1,2-dimethylindole;3-ethyl-2-methylthiophene;2-methyl-2,3,3a,7a-tetrahydro-1-benzofuran;2-methyl-1-benzofuran;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-1H-indole;3-methyl-1H-indole;2,3,5-trimethylthiophene.

What is the SMILES notation for 3-(difluoromethyl)-2-methylthiophene;1,2-dimethylindole;3-ethyl-2-methylthiophene;2-methyl-2,3,3a,7a-tetrahydro-1-benzofuran;2-methyl-1-benzofuran;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-1H-indole;3-methyl-1H-indole;2,3,5-trimethylthiophene?

The canonical SMILES for 3-(difluoromethyl)-2-methylthiophene;1,2-dimethylindole;3-ethyl-2-methylthiophene;2-methyl-2,3,3a,7a-tetrahydro-1-benzofuran;2-methyl-1-benzofuran;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-1H-indole;3-methyl-1H-indole;2,3,5-trimethylthiophene is CC1CC2C=CC=CC2O1.CC1COc2ccccc2O1.CCc1ccsc1C.Cc1c[nH]c2ccccc12.Cc1cc(C)c(C)s1.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2n1C.Cc1cc2ccccc2o1.Cc1sccc1C(F)F.

What is the InChIKey of 3-(difluoromethyl)-2-methylthiophene;1,2-dimethylindole;3-ethyl-2-methylthiophene;2-methyl-2,3,3a,7a-tetrahydro-1-benzofuran;2-methyl-1-benzofuran;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-1H-indole;3-methyl-1H-indole;2,3,5-trimethylthiophene?

The InChIKey is KYPHZUQROIUYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.2C9H9N.C9H10O2.C9H12O.C9H8O.2C7H10S.C6H6F2S/c1-8-7-9-5-3-4-6-10(9)11(8)2;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-8-4-2-3-5-9(8)11-7;2*1-7-6-8-4-2-3-5-9(8)10-7;1-5-4-6(2)8-7(5)3;1-3-7-4-5-8-6(7)2;1-4-5(6(7)8)2-3-9-4/h3-7H,1-2H3;2*2-6,10H,1H3;2-5,7H,6H2,1H3;2-5,7-9H,6H2,1H3;2-6H,1H3;4H,1-3H3;4-5H,3H2,1-2H3;2-3,6H,1H3.

What are the key properties of 3-(difluoromethyl)-2-methylthiophene;1,2-dimethylindole;3-ethyl-2-methylthiophene;2-methyl-2,3,3a,7a-tetrahydro-1-benzofuran;2-methyl-1-benzofuran;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-1H-indole;3-methyl-1H-indole;2,3,5-trimethylthiophene?

3-(difluoromethyl)-2-methylthiophene;1,2-dimethylindole;3-ethyl-2-methylthiophene;2-methyl-2,3,3a,7a-tetrahydro-1-benzofuran;2-methyl-1-benzofuran;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-1H-indole;3-methyl-1H-indole;2,3,5-trimethylthiophene has a molecular weight of 1226.72 g/mol, XLogP of 22.22, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-2-methylthiophene;1,2-dimethylindole;3-ethyl-2-methylthiophene;2-methyl-2,3,3a,7a-tetrahydro-1-benzofuran;2-methyl-1-benzofuran;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-1H-indole;3-methyl-1H-indole;2,3,5-trimethylthiophene is sourced from PubChem (CID 159278395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).