benzyl (2S)-2-carbonochloridoyl-4,4-difluoropyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-2-formyl-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;benzyl (2S)-4,4-difluoro-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;1-O-benzyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;(2S)-4,4-difluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;6-fluoro-1H-indole

C140H133ClF16N12O29 — CID 158789141

About benzyl (2S)-2-carbonochloridoyl-4,4-difluoropyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-2-formyl-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;benzyl (2S)-4,4-difluoro-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;1-O-benzyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;(2S)-4,4-difluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;6-fluoro-1H-indole

benzyl (2S)-2-carbonochloridoyl-4,4-difluoropyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-2-formyl-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;benzyl (2S)-4,4-difluoro-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;1-O-benzyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;(2S)-4,4-difluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;6-fluoro-1H-indole (PubChem CID 158789141) has the molecular formula C140H133ClF16N12O29 and a molecular weight of 2787.08 g/mol. Its IUPAC name is benzyl (2S)-2-carbonochloridoyl-4,4-difluoropyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-2-formyl-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;benzyl (2S)-4,4-difluoro-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;1-O-benzyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;(2S)-4,4-difluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;6-fluoro-1H-indole.

Molecular Properties

• Compound Name: benzyl (2S)-2-carbonochloridoyl-4,4-difluoropyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-2-formyl-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;benzyl (2S)-4,4-difluoro-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;1-O-benzyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;(2S)-4,4-difluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;6-fluoro-1H-indole
• PubChem CID: 158789141
• Molecular Formula: C140H133ClF16N12O29
• Molecular Weight: 2787.08 g/mol
• Exact Mass: 2784.87
• IUPAC Name: benzyl (2S)-2-carbonochloridoyl-4,4-difluoropyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-2-formyl-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;benzyl (2S)-4,4-difluoro-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;1-O-benzyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;(2S)-4,4-difluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;6-fluoro-1H-indole
• SMILES: COC(=O)[C@@H]1CC(=O)CN1C(=O)OCc1ccccc1.COC(=O)[C@@H]1CC(F)(F)CN1C(=O)OCc1ccccc1.COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1.Fc1ccc2cc[nH]c2c1.O=C(Cl)[C@@H]1CC(F)(F)CN1C(=O)OCc1ccccc1.O=C(O)[C@@H]1CC(F)(F)CN1C(=O)OCc1ccccc1.O=C(OCc1ccccc1)N1CC(F)(F)C[C@H]1Cc1c[nH]c2cc(F)ccc12.O=C(c1c[nH]c2cc(F)ccc12)[C@@H]1CC(F)(F)CN1C(=O)OCc1ccccc1.O=Cc1[nH]c2cc(F)ccc2c1C[C@@H]1CC(F)(F)CN1C(=O)OCc1ccccc1
• InChI: InChI=1S/C22H19F3N2O3.C21H17F3N2O3.C21H19F3N2O2.C14H15F2NO4.C14H17NO5.C14H15NO5.C13H12ClF2NO3.C13H13F2NO4.C8H6FN/c23-15-6-7-17-18(20(11-28)26-19(17)8-15)9-16-10-22(24,25)13-27(16)21(29)30-12-14-4-2-1-3-5-14;22-14-6-7-15-16(10-25-17(15)8-14)19(27)18-9-21(23,24)12-26(18)20(28)29-11-13-4-2-1-3-5-13;22-16-6-7-18-15(11-25-19(18)9-16)8-17-10-21(23,24)13-26(17)20(27)28-12-14-4-2-1-3-5-14;1-20-12(18)11-7-14(15,16)9-17(11)13(19)21-8-10-5-3-2-4-6-10;2*1-19-13(17)12-7-11(16)8-15(12)14(18)20-9-10-5-3-2-4-6-10;14-11(18)10-6-13(15,16)8-17(10)12(19)20-7-9-4-2-1-3-5-9;14-13(15)6-10(11(17)18)16(8-13)12(19)20-7-9-4-2-1-3-5-9;9-7-2-1-6-3-4-10-8(6)5-7/h1-8,11,16,26H,9-10,12-13H2;1-8,10,18,25H,9,11-12H2;1-7,9,11,17,25H,8,10,12-13H2;2-6,11H,7-9H2,1H3;2-6,11-12,16H,7-9H2,1H3;2-6,12H,7-9H2,1H3;1-5,10H,6-8H2;1-5,10H,6-8H2,(H,17,18);1-5,10H/t16-;18-;17-;11-;11-,12+;12-;2*10-;/m10101000./s1
• InChIKey: ISBAMJWVVAWUGL-FHEISCBSSA-N
• XLogP: 25.64
• TPSA: 504.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2787.08
LogP ≤ 5	25.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-carbonochloridoyl-4,4-difluoropyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-2-formyl-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;benzyl (2S)-4,4-difluoro-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;1-O-benzyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;(2S)-4,4-difluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;6-fluoro-1H-indole?

The IUPAC name of benzyl (2S)-2-carbonochloridoyl-4,4-difluoropyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-2-formyl-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;benzyl (2S)-4,4-difluoro-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;1-O-benzyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;(2S)-4,4-difluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;6-fluoro-1H-indole (CID 158789141) is benzyl (2S)-2-carbonochloridoyl-4,4-difluoropyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-2-formyl-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;benzyl (2S)-4,4-difluoro-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;1-O-benzyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;(2S)-4,4-difluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;6-fluoro-1H-indole.

What is the SMILES notation for benzyl (2S)-2-carbonochloridoyl-4,4-difluoropyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-2-formyl-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;benzyl (2S)-4,4-difluoro-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;1-O-benzyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;(2S)-4,4-difluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;6-fluoro-1H-indole?

The canonical SMILES for benzyl (2S)-2-carbonochloridoyl-4,4-difluoropyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-2-formyl-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;benzyl (2S)-4,4-difluoro-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;1-O-benzyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;(2S)-4,4-difluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;6-fluoro-1H-indole is COC(=O)[C@@H]1CC(=O)CN1C(=O)OCc1ccccc1.COC(=O)[C@@H]1CC(F)(F)CN1C(=O)OCc1ccccc1.COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1.Fc1ccc2cc[nH]c2c1.O=C(Cl)[C@@H]1CC(F)(F)CN1C(=O)OCc1ccccc1.O=C(O)[C@@H]1CC(F)(F)CN1C(=O)OCc1ccccc1.O=C(OCc1ccccc1)N1CC(F)(F)C[C@H]1Cc1c[nH]c2cc(F)ccc12.O=C(c1c[nH]c2cc(F)ccc12)[C@@H]1CC(F)(F)CN1C(=O)OCc1ccccc1.O=Cc1[nH]c2cc(F)ccc2c1C[C@@H]1CC(F)(F)CN1C(=O)OCc1ccccc1.

What is the InChIKey of benzyl (2S)-2-carbonochloridoyl-4,4-difluoropyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-2-formyl-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;benzyl (2S)-4,4-difluoro-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;1-O-benzyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;(2S)-4,4-difluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;6-fluoro-1H-indole?

The InChIKey is ISBAMJWVVAWUGL-FHEISCBSSA-N. The full InChI is InChI=1S/C22H19F3N2O3.C21H17F3N2O3.C21H19F3N2O2.C14H15F2NO4.C14H17NO5.C14H15NO5.C13H12ClF2NO3.C13H13F2NO4.C8H6FN/c23-15-6-7-17-18(20(11-28)26-19(17)8-15)9-16-10-22(24,25)13-27(16)21(29)30-12-14-4-2-1-3-5-14;22-14-6-7-15-16(10-25-17(15)8-14)19(27)18-9-21(23,24)12-26(18)20(28)29-11-13-4-2-1-3-5-13;22-16-6-7-18-15(11-25-19(18)9-16)8-17-10-21(23,24)13-26(17)20(27)28-12-14-4-2-1-3-5-14;1-20-12(18)11-7-14(15,16)9-17(11)13(19)21-8-10-5-3-2-4-6-10;2*1-19-13(17)12-7-11(16)8-15(12)14(18)20-9-10-5-3-2-4-6-10;14-11(18)10-6-13(15,16)8-17(10)12(19)20-7-9-4-2-1-3-5-9;14-13(15)6-10(11(17)18)16(8-13)12(19)20-7-9-4-2-1-3-5-9;9-7-2-1-6-3-4-10-8(6)5-7/h1-8,11,16,26H,9-10,12-13H2;1-8,10,18,25H,9,11-12H2;1-7,9,11,17,25H,8,10,12-13H2;2-6,11H,7-9H2,1H3;2-6,11-12,16H,7-9H2,1H3;2-6,12H,7-9H2,1H3;1-5,10H,6-8H2;1-5,10H,6-8H2,(H,17,18);1-5,10H/t16-;18-;17-;11-;11-,12+;12-;2*10-;/m10101000./s1.

What are the key properties of benzyl (2S)-2-carbonochloridoyl-4,4-difluoropyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-2-formyl-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;benzyl (2S)-4,4-difluoro-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;1-O-benzyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;(2S)-4,4-difluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;6-fluoro-1H-indole?

benzyl (2S)-2-carbonochloridoyl-4,4-difluoropyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-2-formyl-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;benzyl (2S)-4,4-difluoro-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;1-O-benzyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;(2S)-4,4-difluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;6-fluoro-1H-indole has a molecular weight of 2787.08 g/mol, XLogP of 25.64, 28 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2S)-2-carbonochloridoyl-4,4-difluoropyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-2-formyl-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;benzyl (2S)-4,4-difluoro-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate;benzyl (2R)-4,4-difluoro-2-[(6-fluoro-1H-indol-3-yl)methyl]pyrrolidine-1-carboxylate;1-O-benzyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-benzyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;(2S)-4,4-difluoro-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;6-fluoro-1H-indole is sourced from PubChem (CID 158789141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).