1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrol-3-yl]phenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phenyl]methyl]piperazine-1-carboxylate

C50H64F12N6O8 — CID 158332733

About 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrol-3-yl]phenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phenyl]methyl]piperazine-1-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrol-3-yl]phenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phenyl]methyl]piperazine-1-carboxylate (PubChem CID 158332733) has the molecular formula C50H64F12N6O8 and a molecular weight of 1105.07 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrol-3-yl]phenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phenyl]methyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrol-3-yl]phenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phenyl]methyl]piperazine-1-carboxylate
• PubChem CID: 158332733
• Molecular Formula: C50H64F12N6O8
• Molecular Weight: 1105.07 g/mol
• Exact Mass: 1104.46
• IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrol-3-yl]phenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phenyl]methyl]piperazine-1-carboxylate
• SMILES: Cc1ccc(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)c(C2=CCN(C(=O)OC(C)(C)C)C2)c1.Cc1ccc(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)c(C2CCN(C(=O)OC(C)(C)C)C2)c1
• InChI: InChI=1S/C25H33F6N3O4.C25H31F6N3O4/c2*1-16-5-6-17(19(13-16)18-7-8-34(15-18)22(36)38-23(2,3)4)14-32-9-11-33(12-10-32)21(35)37-20(24(26,27)28)25(29,30)31/h5-6,13,18,20H,7-12,14-15H2,1-4H3;5-7,13,20H,8-12,14-15H2,1-4H3
• InChIKey: GQEYZMATWTXRAZ-UHFFFAOYSA-N
• XLogP: 10.84
• TPSA: 124.64 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1105.07
LogP ≤ 5	10.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrol-3-yl]phenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phenyl]methyl]piperazine-1-carboxylate?

The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrol-3-yl]phenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phenyl]methyl]piperazine-1-carboxylate (CID 158332733) is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrol-3-yl]phenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phenyl]methyl]piperazine-1-carboxylate.

What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrol-3-yl]phenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phenyl]methyl]piperazine-1-carboxylate?

The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrol-3-yl]phenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phenyl]methyl]piperazine-1-carboxylate is Cc1ccc(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)c(C2=CCN(C(=O)OC(C)(C)C)C2)c1.Cc1ccc(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)c(C2CCN(C(=O)OC(C)(C)C)C2)c1.

What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrol-3-yl]phenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phenyl]methyl]piperazine-1-carboxylate?

The InChIKey is GQEYZMATWTXRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F6N3O4.C25H31F6N3O4/c2*1-16-5-6-17(19(13-16)18-7-8-34(15-18)22(36)38-23(2,3)4)14-32-9-11-33(12-10-32)21(35)37-20(24(26,27)28)25(29,30)31/h5-6,13,18,20H,7-12,14-15H2,1-4H3;5-7,13,20H,8-12,14-15H2,1-4H3.

What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrol-3-yl]phenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phenyl]methyl]piperazine-1-carboxylate?

1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrol-3-yl]phenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phenyl]methyl]piperazine-1-carboxylate has a molecular weight of 1105.07 g/mol, XLogP of 10.84, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrol-3-yl]phenyl]methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]phenyl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 158332733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).