deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-2H-triazol-3-ium-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide

C96H94F13N24O12+ — CID 159637311

About deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-2H-triazol-3-ium-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide

deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-2H-triazol-3-ium-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide (PubChem CID 159637311) has the molecular formula C96H94F13N24O12+ and a molecular weight of 2023.94 g/mol. Its IUPAC name is deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-2H-triazol-3-ium-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide.

Molecular Properties

• Compound Name: deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-2H-triazol-3-ium-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide
• PubChem CID: 159637311
• Molecular Formula: C96H94F13N24O12+
• Molecular Weight: 2023.94 g/mol
• Exact Mass: 2022.73
• IUPAC Name: deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-2H-triazol-3-ium-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide
• SMILES: Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(c3cn(C)nn3)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(c3cn[nH][n+]3C)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(c3cn[nH]n3)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(c3cnn(C)n3)CC(F)(F)C1)CCC2.[2H]CF
• InChI: InChI=1S/3C24H23F3N6O3.C23H21F3N6O3.CH3F/c1-13-18(21(35)28-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)29-23(11-24(26,27)12-23)17-10-32(2)31-30-17;1-13-18(21(35)29-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)30-23(11-24(26,27)12-23)17-10-28-31-32(17)2;1-13-18(21(35)29-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)30-23(11-24(26,27)12-23)17-10-28-32(2)31-17;1-12-17(20(34)28-14-6-4-13(24)5-7-14)15-3-2-8-32(15)18(12)19(33)21(35)29-22(10-23(25,26)11-22)16-9-27-31-30-16;1-2/h5-8,10H,3-4,9,11-12H2,1-2H3,(H,28,35)(H,29,36);5-8,10H,3-4,9,11-12H2,1-2H3,(H2,29,30,35,36);5-8,10H,3-4,9,11-12H2,1-2H3,(H,29,35)(H,30,36);4-7,9H,2-3,8,10-11H2,1H3,(H,28,34)(H,29,35)(H,27,30,31);1H3/p+1/i;;;;1D
• InChIKey: CPIRMQYFSWEEHU-KBJZJHATSA-O
• XLogP: 11.54
• TPSA: 456.35 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2023.94
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-2H-triazol-3-ium-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide?

The IUPAC name of deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-2H-triazol-3-ium-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide (CID 159637311) is deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-2H-triazol-3-ium-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide.

What is the SMILES notation for deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-2H-triazol-3-ium-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide?

The canonical SMILES for deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-2H-triazol-3-ium-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide is Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(c3cn(C)nn3)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(c3cn[nH][n+]3C)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(c3cn[nH]n3)CC(F)(F)C1)CCC2.Cc1c(C(=O)Nc2ccc(F)cc2)c2n(c1C(=O)C(=O)NC1(c3cnn(C)n3)CC(F)(F)C1)CCC2.[2H]CF.

What is the InChIKey of deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-2H-triazol-3-ium-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide?

The InChIKey is CPIRMQYFSWEEHU-KBJZJHATSA-O. The full InChI is InChI=1S/3C24H23F3N6O3.C23H21F3N6O3.CH3F/c1-13-18(21(35)28-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)29-23(11-24(26,27)12-23)17-10-32(2)31-30-17;1-13-18(21(35)29-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)30-23(11-24(26,27)12-23)17-10-28-31-32(17)2;1-13-18(21(35)29-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)30-23(11-24(26,27)12-23)17-10-28-32(2)31-17;1-12-17(20(34)28-14-6-4-13(24)5-7-14)15-3-2-8-32(15)18(12)19(33)21(35)29-22(10-23(25,26)11-22)16-9-27-31-30-16;1-2/h5-8,10H,3-4,9,11-12H2,1-2H3,(H,28,35)(H,29,36);5-8,10H,3-4,9,11-12H2,1-2H3,(H2,29,30,35,36);5-8,10H,3-4,9,11-12H2,1-2H3,(H,29,35)(H,30,36);4-7,9H,2-3,8,10-11H2,1H3,(H,28,34)(H,29,35)(H,27,30,31);1H3/p+1/i;;;;1D.

What are the key properties of deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-2H-triazol-3-ium-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide?

deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-2H-triazol-3-ium-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide has a molecular weight of 2023.94 g/mol, XLogP of 11.54, 24 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for deuterio(fluoro)methane;3-[2-[[3,3-difluoro-1-(3-methyl-2H-triazol-3-ium-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(1-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2-methyltriazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 159637311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).