4-fluoro-1,3-dimethyl-2-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,3,4-tetramethylpyrrole;bis(1,2,3-trimethyl-4-propan-2-ylpyrrole);1,3,4-trimethyl-2-propan-2-ylpyrrole;1,2,5-trimethylpyrrole

C81H128F7N9 — CID 158200396

About 4-fluoro-1,3-dimethyl-2-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,3,4-tetramethylpyrrole;bis(1,2,3-trimethyl-4-propan-2-ylpyrrole);1,3,4-trimethyl-2-propan-2-ylpyrrole;1,2,5-trimethylpyrrole

4-fluoro-1,3-dimethyl-2-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,3,4-tetramethylpyrrole;bis(1,2,3-trimethyl-4-propan-2-ylpyrrole);1,3,4-trimethyl-2-propan-2-ylpyrrole;1,2,5-trimethylpyrrole (PubChem CID 158200396) has the molecular formula C81H128F7N9 and a molecular weight of 1360.96 g/mol. Its IUPAC name is 4-fluoro-1,3-dimethyl-2-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,3,4-tetramethylpyrrole;bis(1,2,3-trimethyl-4-propan-2-ylpyrrole);1,3,4-trimethyl-2-propan-2-ylpyrrole;1,2,5-trimethylpyrrole.

Molecular Properties

• Compound Name: 4-fluoro-1,3-dimethyl-2-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,3,4-tetramethylpyrrole;bis(1,2,3-trimethyl-4-propan-2-ylpyrrole);1,3,4-trimethyl-2-propan-2-ylpyrrole;1,2,5-trimethylpyrrole
• PubChem CID: 158200396
• Molecular Formula: C81H128F7N9
• Molecular Weight: 1360.96 g/mol
• Exact Mass: 1360.02
• IUPAC Name: 4-fluoro-1,3-dimethyl-2-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,3,4-tetramethylpyrrole;bis(1,2,3-trimethyl-4-propan-2-ylpyrrole);1,3,4-trimethyl-2-propan-2-ylpyrrole;1,2,5-trimethylpyrrole
• SMILES: CC(C)c1ccc(C(C)C)n1C.Cc1c(C(C)C)cn(C)c1C.Cc1c(C(C)C)cn(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1c(F)cn(C)c1C(C)C.Cc1ccc(C)n1C.Cc1cn(C)c(C(C)C)c1C.Cc1cn(C)c(C)c1C.Cn1c(C(F)(F)F)ccc1C(F)(F)F
• InChI: InChI=1S/C11H19N.3C10H17N.C9H14FN.C9H15N.C8H13N.C7H5F6N.C7H11N/c1-8(2)10-6-7-11(9(3)4)12(10)5;2*1-7(2)10-6-11(5)9(4)8(10)3;1-7(2)10-9(4)8(3)6-11(10)5;1-6(2)9-7(3)8(10)5-11(9)4;1-6-7(2)9(4)10(5)8(6)3;1-6-5-9(4)8(3)7(6)2;1-14-4(6(8,9)10)2-3-5(14)7(11,12)13;1-6-4-5-7(2)8(6)3/h6-9H,1-5H3;3*6-7H,1-5H3;5-6H,1-4H3;1-5H3;5H,1-4H3;2-3H,1H3;4-5H,1-3H3
• InChIKey: GAVYWHJCWSUPTQ-UHFFFAOYSA-N
• XLogP: 23.08
• TPSA: 44.37 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1360.96
LogP ≤ 5	23.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,3-dimethyl-2-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,3,4-tetramethylpyrrole;bis(1,2,3-trimethyl-4-propan-2-ylpyrrole);1,3,4-trimethyl-2-propan-2-ylpyrrole;1,2,5-trimethylpyrrole?

The IUPAC name of 4-fluoro-1,3-dimethyl-2-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,3,4-tetramethylpyrrole;bis(1,2,3-trimethyl-4-propan-2-ylpyrrole);1,3,4-trimethyl-2-propan-2-ylpyrrole;1,2,5-trimethylpyrrole (CID 158200396) is 4-fluoro-1,3-dimethyl-2-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,3,4-tetramethylpyrrole;bis(1,2,3-trimethyl-4-propan-2-ylpyrrole);1,3,4-trimethyl-2-propan-2-ylpyrrole;1,2,5-trimethylpyrrole.

What is the SMILES notation for 4-fluoro-1,3-dimethyl-2-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,3,4-tetramethylpyrrole;bis(1,2,3-trimethyl-4-propan-2-ylpyrrole);1,3,4-trimethyl-2-propan-2-ylpyrrole;1,2,5-trimethylpyrrole?

The canonical SMILES for 4-fluoro-1,3-dimethyl-2-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,3,4-tetramethylpyrrole;bis(1,2,3-trimethyl-4-propan-2-ylpyrrole);1,3,4-trimethyl-2-propan-2-ylpyrrole;1,2,5-trimethylpyrrole is CC(C)c1ccc(C(C)C)n1C.Cc1c(C(C)C)cn(C)c1C.Cc1c(C(C)C)cn(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1c(F)cn(C)c1C(C)C.Cc1ccc(C)n1C.Cc1cn(C)c(C(C)C)c1C.Cc1cn(C)c(C)c1C.Cn1c(C(F)(F)F)ccc1C(F)(F)F.

What is the InChIKey of 4-fluoro-1,3-dimethyl-2-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,3,4-tetramethylpyrrole;bis(1,2,3-trimethyl-4-propan-2-ylpyrrole);1,3,4-trimethyl-2-propan-2-ylpyrrole;1,2,5-trimethylpyrrole?

The InChIKey is GAVYWHJCWSUPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N.3C10H17N.C9H14FN.C9H15N.C8H13N.C7H5F6N.C7H11N/c1-8(2)10-6-7-11(9(3)4)12(10)5;2*1-7(2)10-6-11(5)9(4)8(10)3;1-7(2)10-9(4)8(3)6-11(10)5;1-6(2)9-7(3)8(10)5-11(9)4;1-6-7(2)9(4)10(5)8(6)3;1-6-5-9(4)8(3)7(6)2;1-14-4(6(8,9)10)2-3-5(14)7(11,12)13;1-6-4-5-7(2)8(6)3/h6-9H,1-5H3;3*6-7H,1-5H3;5-6H,1-4H3;1-5H3;5H,1-4H3;2-3H,1H3;4-5H,1-3H3.

What are the key properties of 4-fluoro-1,3-dimethyl-2-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,3,4-tetramethylpyrrole;bis(1,2,3-trimethyl-4-propan-2-ylpyrrole);1,3,4-trimethyl-2-propan-2-ylpyrrole;1,2,5-trimethylpyrrole?

4-fluoro-1,3-dimethyl-2-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,3,4-tetramethylpyrrole;bis(1,2,3-trimethyl-4-propan-2-ylpyrrole);1,3,4-trimethyl-2-propan-2-ylpyrrole;1,2,5-trimethylpyrrole has a molecular weight of 1360.96 g/mol, XLogP of 23.08, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-1,3-dimethyl-2-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,3,4-tetramethylpyrrole;bis(1,2,3-trimethyl-4-propan-2-ylpyrrole);1,3,4-trimethyl-2-propan-2-ylpyrrole;1,2,5-trimethylpyrrole is sourced from PubChem (CID 158200396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).