ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(2,4,5-trifluorophenyl)prop-2-enoate;ethyl 4,6,7-trifluoro-1H-indole-2-carboxylate;2,4,5-trifluorobenzaldehyde;4,6,7-trifluoro-1H-indole-2-carboxylic acid;tritium monohydride;uranium;vanadium

C42H32F12N8O9UV — CID 158548533

About ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(2,4,5-trifluorophenyl)prop-2-enoate;ethyl 4,6,7-trifluoro-1H-indole-2-carboxylate;2,4,5-trifluorobenzaldehyde;4,6,7-trifluoro-1H-indole-2-carboxylic acid;tritium monohydride;uranium;vanadium

ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(2,4,5-trifluorophenyl)prop-2-enoate;ethyl 4,6,7-trifluoro-1H-indole-2-carboxylate;2,4,5-trifluorobenzaldehyde;4,6,7-trifluoro-1H-indole-2-carboxylic acid;tritium monohydride;uranium;vanadium (PubChem CID 158548533) has the molecular formula C42H32F12N8O9UV and a molecular weight of 1311.72 g/mol. Its IUPAC name is ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(2,4,5-trifluorophenyl)prop-2-enoate;ethyl 4,6,7-trifluoro-1H-indole-2-carboxylate;2,4,5-trifluorobenzaldehyde;4,6,7-trifluoro-1H-indole-2-carboxylic acid;tritium monohydride;uranium;vanadium.

Molecular Properties

• Compound Name: ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(2,4,5-trifluorophenyl)prop-2-enoate;ethyl 4,6,7-trifluoro-1H-indole-2-carboxylate;2,4,5-trifluorobenzaldehyde;4,6,7-trifluoro-1H-indole-2-carboxylic acid;tritium monohydride;uranium;vanadium
• PubChem CID: 158548533
• Molecular Formula: C42H32F12N8O9UV
• Molecular Weight: 1311.72 g/mol
• Exact Mass: 1311.21
• IUPAC Name: ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(2,4,5-trifluorophenyl)prop-2-enoate;ethyl 4,6,7-trifluoro-1H-indole-2-carboxylate;2,4,5-trifluorobenzaldehyde;4,6,7-trifluoro-1H-indole-2-carboxylic acid;tritium monohydride;uranium;vanadium
• SMILES: CCOC(=O)/C(=C/c1cc(F)c(F)cc1F)N=[N+]=[N-].CCOC(=O)CN=[N+]=[N-].CCOC(=O)c1cc2c(F)cc(F)c(F)c2[nH]1.O=C(O)c1cc2c(F)cc(F)c(F)c2[nH]1.O=Cc1cc(F)c(F)cc1F.[H][3H].[U].[V]
• InChI: InChI=1S/C11H8F3N3O2.C11H8F3NO2.C9H4F3NO2.C7H3F3O.C4H7N3O2.U.V.H2/c1-2-19-11(18)10(16-17-15)4-6-3-8(13)9(14)5-7(6)12;1-2-17-11(16)8-3-5-6(12)4-7(13)9(14)10(5)15-8;10-4-2-5(11)7(12)8-3(4)1-6(13-8)9(14)15;8-5-2-7(10)6(9)1-4(5)3-11;1-2-9-4(8)3-6-7-5;;;/h3-5H,2H2,1H3;3-4,15H,2H2,1H3;1-2,13H,(H,14,15);1-3H;2-3H2,1H3;;;1H/b10-4-;;;;;;;/i;;;;;;;1+2
• InChIKey: HPKUUXASXQXLJL-JQRLDORSSA-N
• XLogP: 11.38
• TPSA: 262.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1311.72
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(2,4,5-trifluorophenyl)prop-2-enoate;ethyl 4,6,7-trifluoro-1H-indole-2-carboxylate;2,4,5-trifluorobenzaldehyde;4,6,7-trifluoro-1H-indole-2-carboxylic acid;tritium monohydride;uranium;vanadium?

The IUPAC name of ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(2,4,5-trifluorophenyl)prop-2-enoate;ethyl 4,6,7-trifluoro-1H-indole-2-carboxylate;2,4,5-trifluorobenzaldehyde;4,6,7-trifluoro-1H-indole-2-carboxylic acid;tritium monohydride;uranium;vanadium (CID 158548533) is ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(2,4,5-trifluorophenyl)prop-2-enoate;ethyl 4,6,7-trifluoro-1H-indole-2-carboxylate;2,4,5-trifluorobenzaldehyde;4,6,7-trifluoro-1H-indole-2-carboxylic acid;tritium monohydride;uranium;vanadium.

What is the SMILES notation for ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(2,4,5-trifluorophenyl)prop-2-enoate;ethyl 4,6,7-trifluoro-1H-indole-2-carboxylate;2,4,5-trifluorobenzaldehyde;4,6,7-trifluoro-1H-indole-2-carboxylic acid;tritium monohydride;uranium;vanadium?

The canonical SMILES for ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(2,4,5-trifluorophenyl)prop-2-enoate;ethyl 4,6,7-trifluoro-1H-indole-2-carboxylate;2,4,5-trifluorobenzaldehyde;4,6,7-trifluoro-1H-indole-2-carboxylic acid;tritium monohydride;uranium;vanadium is CCOC(=O)/C(=C/c1cc(F)c(F)cc1F)N=[N+]=[N-].CCOC(=O)CN=[N+]=[N-].CCOC(=O)c1cc2c(F)cc(F)c(F)c2[nH]1.O=C(O)c1cc2c(F)cc(F)c(F)c2[nH]1.O=Cc1cc(F)c(F)cc1F.[H][3H].[U].[V].

What is the InChIKey of ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(2,4,5-trifluorophenyl)prop-2-enoate;ethyl 4,6,7-trifluoro-1H-indole-2-carboxylate;2,4,5-trifluorobenzaldehyde;4,6,7-trifluoro-1H-indole-2-carboxylic acid;tritium monohydride;uranium;vanadium?

The InChIKey is HPKUUXASXQXLJL-JQRLDORSSA-N. The full InChI is InChI=1S/C11H8F3N3O2.C11H8F3NO2.C9H4F3NO2.C7H3F3O.C4H7N3O2.U.V.H2/c1-2-19-11(18)10(16-17-15)4-6-3-8(13)9(14)5-7(6)12;1-2-17-11(16)8-3-5-6(12)4-7(13)9(14)10(5)15-8;10-4-2-5(11)7(12)8-3(4)1-6(13-8)9(14)15;8-5-2-7(10)6(9)1-4(5)3-11;1-2-9-4(8)3-6-7-5;;;/h3-5H,2H2,1H3;3-4,15H,2H2,1H3;1-2,13H,(H,14,15);1-3H;2-3H2,1H3;;;1H/b10-4-;;;;;;;/i;;;;;;;1+2.

What are the key properties of ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(2,4,5-trifluorophenyl)prop-2-enoate;ethyl 4,6,7-trifluoro-1H-indole-2-carboxylate;2,4,5-trifluorobenzaldehyde;4,6,7-trifluoro-1H-indole-2-carboxylic acid;tritium monohydride;uranium;vanadium?

ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(2,4,5-trifluorophenyl)prop-2-enoate;ethyl 4,6,7-trifluoro-1H-indole-2-carboxylate;2,4,5-trifluorobenzaldehyde;4,6,7-trifluoro-1H-indole-2-carboxylic acid;tritium monohydride;uranium;vanadium has a molecular weight of 1311.72 g/mol, XLogP of 11.38, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(2,4,5-trifluorophenyl)prop-2-enoate;ethyl 4,6,7-trifluoro-1H-indole-2-carboxylate;2,4,5-trifluorobenzaldehyde;4,6,7-trifluoro-1H-indole-2-carboxylic acid;tritium monohydride;uranium;vanadium is sourced from PubChem (CID 158548533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).