tert-butyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol;[(2R)-4,4-difluoropyrrolidin-2-yl]methanol

C61H104F8N8O16 — CID 159903244

About tert-butyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol;[(2R)-4,4-difluoropyrrolidin-2-yl]methanol

tert-butyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol;[(2R)-4,4-difluoropyrrolidin-2-yl]methanol (PubChem CID 159903244) has the molecular formula C61H104F8N8O16 and a molecular weight of 1357.53 g/mol. Its IUPAC name is tert-butyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol;[(2R)-4,4-difluoropyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: tert-butyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol;[(2R)-4,4-difluoropyrrolidin-2-yl]methanol
• PubChem CID: 159903244
• Molecular Formula: C61H104F8N8O16
• Molecular Weight: 1357.53 g/mol
• Exact Mass: 1356.74
• IUPAC Name: tert-butyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol;[(2R)-4,4-difluoropyrrolidin-2-yl]methanol
• SMILES: CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CO.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(N2CC(F)(F)C[C@@H]2CO)CC1.COC(=O)[C@H]1CC(=O)CN1C(=O)OC(C)(C)C.OC[C@H]1CC(F)(F)CN1.OC[C@H]1CC(F)(F)CN1C1CCNCC1
• InChI: InChI=1S/C15H26F2N2O3.C11H17NO5.C10H18F2N2O.C10H17F2NO3.C10H17NO3.C5H9F2NO/c1-14(2,3)22-13(21)18-6-4-11(5-7-18)19-10-15(16,17)8-12(19)9-20;1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4;11-10(12)5-9(6-15)14(7-10)8-1-3-13-4-2-8;1-9(2,3)16-8(15)13-6-10(11,12)4-7(13)5-14;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;6-5(7)1-4(2-9)8-3-5/h11-12,20H,4-10H2,1-3H3;8H,5-6H2,1-4H3;8-9,13,15H,1-7H2;7,14H,4-6H2,1-3H3;4-7H2,1-3H3;4,8-9H,1-3H2/t12-;8-;9-;7-;;4-/m1111.1/s1
• InChIKey: NWFRGWCKWOFUJU-RXSUWKABSA-N
• XLogP: 6.45
• TPSA: 290.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1357.53
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol;[(2R)-4,4-difluoropyrrolidin-2-yl]methanol?

The IUPAC name of tert-butyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol;[(2R)-4,4-difluoropyrrolidin-2-yl]methanol (CID 159903244) is tert-butyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol;[(2R)-4,4-difluoropyrrolidin-2-yl]methanol.

What is the SMILES notation for tert-butyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol;[(2R)-4,4-difluoropyrrolidin-2-yl]methanol?

The canonical SMILES for tert-butyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol;[(2R)-4,4-difluoropyrrolidin-2-yl]methanol is CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CO.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(N2CC(F)(F)C[C@@H]2CO)CC1.COC(=O)[C@H]1CC(=O)CN1C(=O)OC(C)(C)C.OC[C@H]1CC(F)(F)CN1.OC[C@H]1CC(F)(F)CN1C1CCNCC1.

What is the InChIKey of tert-butyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol;[(2R)-4,4-difluoropyrrolidin-2-yl]methanol?

The InChIKey is NWFRGWCKWOFUJU-RXSUWKABSA-N. The full InChI is InChI=1S/C15H26F2N2O3.C11H17NO5.C10H18F2N2O.C10H17F2NO3.C10H17NO3.C5H9F2NO/c1-14(2,3)22-13(21)18-6-4-11(5-7-18)19-10-15(16,17)8-12(19)9-20;1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4;11-10(12)5-9(6-15)14(7-10)8-1-3-13-4-2-8;1-9(2,3)16-8(15)13-6-10(11,12)4-7(13)5-14;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;6-5(7)1-4(2-9)8-3-5/h11-12,20H,4-10H2,1-3H3;8H,5-6H2,1-4H3;8-9,13,15H,1-7H2;7,14H,4-6H2,1-3H3;4-7H2,1-3H3;4,8-9H,1-3H2/t12-;8-;9-;7-;;4-/m1111.1/s1.

What are the key properties of tert-butyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol;[(2R)-4,4-difluoropyrrolidin-2-yl]methanol?

tert-butyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol;[(2R)-4,4-difluoropyrrolidin-2-yl]methanol has a molecular weight of 1357.53 g/mol, XLogP of 6.45, 7 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;[(2R)-4,4-difluoro-1-piperidin-4-ylpyrrolidin-2-yl]methanol;[(2R)-4,4-difluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 159903244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).