3,5-difluoro-1,2-dimethylpyrrole;1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-(trifluoromethyl)pyrrole;bis(1,2,5-trimethyl-3-propan-2-ylpyrrole);1,2,5-trimethyl-3-(trifluoromethyl)pyrrole

C59H87F10N7 — CID 160662167

About 3,5-difluoro-1,2-dimethylpyrrole;1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-(trifluoromethyl)pyrrole;bis(1,2,5-trimethyl-3-propan-2-ylpyrrole);1,2,5-trimethyl-3-(trifluoromethyl)pyrrole

3,5-difluoro-1,2-dimethylpyrrole;1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-(trifluoromethyl)pyrrole;bis(1,2,5-trimethyl-3-propan-2-ylpyrrole);1,2,5-trimethyl-3-(trifluoromethyl)pyrrole (PubChem CID 160662167) has the molecular formula C59H87F10N7 and a molecular weight of 1084.37 g/mol. Its IUPAC name is 3,5-difluoro-1,2-dimethylpyrrole;1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-(trifluoromethyl)pyrrole;bis(1,2,5-trimethyl-3-propan-2-ylpyrrole);1,2,5-trimethyl-3-(trifluoromethyl)pyrrole.

Molecular Properties

• Compound Name: 3,5-difluoro-1,2-dimethylpyrrole;1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-(trifluoromethyl)pyrrole;bis(1,2,5-trimethyl-3-propan-2-ylpyrrole);1,2,5-trimethyl-3-(trifluoromethyl)pyrrole
• PubChem CID: 160662167
• Molecular Formula: C59H87F10N7
• Molecular Weight: 1084.37 g/mol
• Exact Mass: 1083.69
• IUPAC Name: 3,5-difluoro-1,2-dimethylpyrrole;1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-(trifluoromethyl)pyrrole;bis(1,2,5-trimethyl-3-propan-2-ylpyrrole);1,2,5-trimethyl-3-(trifluoromethyl)pyrrole
• SMILES: Cc1c(C(C)C)cc(F)n1C.Cc1c(C(C)C)ccn1C.Cc1c(C(F)(F)F)cc(F)n1C.Cc1c(F)cc(F)n1C.Cc1cc(C(C)C)c(C)n1C.Cc1cc(C(C)C)c(C)n1C.Cc1cc(C(F)(F)F)c(C)n1C
• InChI: InChI=1S/2C10H17N.C9H14FN.C9H15N.C8H10F3N.C7H7F4N.C6H7F2N/c2*1-7(2)10-6-8(3)11(5)9(10)4;1-6(2)8-5-9(10)11(4)7(8)3;1-7(2)9-5-6-10(4)8(9)3;1-5-4-7(8(9,10)11)6(2)12(5)3;1-4-5(7(9,10)11)3-6(8)12(4)2;1-4-5(7)3-6(8)9(4)2/h2*6-7H,1-5H3;5-6H,1-4H3;5-7H,1-4H3;4H,1-3H3;3H,1-2H3;3H,1-2H3
• InChIKey: RLUWBNNCSZZKNU-UHFFFAOYSA-N
• XLogP: 17.35
• TPSA: 34.51 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1084.37
LogP ≤ 5	17.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1,2-dimethylpyrrole;1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-(trifluoromethyl)pyrrole;bis(1,2,5-trimethyl-3-propan-2-ylpyrrole);1,2,5-trimethyl-3-(trifluoromethyl)pyrrole?

The IUPAC name of 3,5-difluoro-1,2-dimethylpyrrole;1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-(trifluoromethyl)pyrrole;bis(1,2,5-trimethyl-3-propan-2-ylpyrrole);1,2,5-trimethyl-3-(trifluoromethyl)pyrrole (CID 160662167) is 3,5-difluoro-1,2-dimethylpyrrole;1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-(trifluoromethyl)pyrrole;bis(1,2,5-trimethyl-3-propan-2-ylpyrrole);1,2,5-trimethyl-3-(trifluoromethyl)pyrrole.

What is the SMILES notation for 3,5-difluoro-1,2-dimethylpyrrole;1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-(trifluoromethyl)pyrrole;bis(1,2,5-trimethyl-3-propan-2-ylpyrrole);1,2,5-trimethyl-3-(trifluoromethyl)pyrrole?

The canonical SMILES for 3,5-difluoro-1,2-dimethylpyrrole;1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-(trifluoromethyl)pyrrole;bis(1,2,5-trimethyl-3-propan-2-ylpyrrole);1,2,5-trimethyl-3-(trifluoromethyl)pyrrole is Cc1c(C(C)C)cc(F)n1C.Cc1c(C(C)C)ccn1C.Cc1c(C(F)(F)F)cc(F)n1C.Cc1c(F)cc(F)n1C.Cc1cc(C(C)C)c(C)n1C.Cc1cc(C(C)C)c(C)n1C.Cc1cc(C(F)(F)F)c(C)n1C.

What is the InChIKey of 3,5-difluoro-1,2-dimethylpyrrole;1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-(trifluoromethyl)pyrrole;bis(1,2,5-trimethyl-3-propan-2-ylpyrrole);1,2,5-trimethyl-3-(trifluoromethyl)pyrrole?

The InChIKey is RLUWBNNCSZZKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17N.C9H14FN.C9H15N.C8H10F3N.C7H7F4N.C6H7F2N/c2*1-7(2)10-6-8(3)11(5)9(10)4;1-6(2)8-5-9(10)11(4)7(8)3;1-7(2)9-5-6-10(4)8(9)3;1-5-4-7(8(9,10)11)6(2)12(5)3;1-4-5(7(9,10)11)3-6(8)12(4)2;1-4-5(7)3-6(8)9(4)2/h2*6-7H,1-5H3;5-6H,1-4H3;5-7H,1-4H3;4H,1-3H3;3H,1-2H3;3H,1-2H3.

What are the key properties of 3,5-difluoro-1,2-dimethylpyrrole;1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-(trifluoromethyl)pyrrole;bis(1,2,5-trimethyl-3-propan-2-ylpyrrole);1,2,5-trimethyl-3-(trifluoromethyl)pyrrole?

3,5-difluoro-1,2-dimethylpyrrole;1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-(trifluoromethyl)pyrrole;bis(1,2,5-trimethyl-3-propan-2-ylpyrrole);1,2,5-trimethyl-3-(trifluoromethyl)pyrrole has a molecular weight of 1084.37 g/mol, XLogP of 17.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-1,2-dimethylpyrrole;1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-propan-2-ylpyrrole;5-fluoro-1,2-dimethyl-3-(trifluoromethyl)pyrrole;bis(1,2,5-trimethyl-3-propan-2-ylpyrrole);1,2,5-trimethyl-3-(trifluoromethyl)pyrrole is sourced from PubChem (CID 160662167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).