ethyl 3-methyl-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylate;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;2-[4-(trifluoromethyl)phenyl]acetyl chloride

C66H65ClF12N4O10 — CID 159838609

About ethyl 3-methyl-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylate;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;2-[4-(trifluoromethyl)phenyl]acetyl chloride

ethyl 3-methyl-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylate;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;2-[4-(trifluoromethyl)phenyl]acetyl chloride (PubChem CID 159838609) has the molecular formula C66H65ClF12N4O10 and a molecular weight of 1337.69 g/mol. Its IUPAC name is ethyl 3-methyl-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylate;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;2-[4-(trifluoromethyl)phenyl]acetyl chloride.

Molecular Properties

• Compound Name: ethyl 3-methyl-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylate;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;2-[4-(trifluoromethyl)phenyl]acetyl chloride
• PubChem CID: 159838609
• Molecular Formula: C66H65ClF12N4O10
• Molecular Weight: 1337.69 g/mol
• Exact Mass: 1336.42
• IUPAC Name: ethyl 3-methyl-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylate;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;2-[4-(trifluoromethyl)phenyl]acetyl chloride
• SMILES: CCOC(=O)c1[nH]cc(C(=O)Cc2ccc(C(F)(F)F)cc2)c1C.CCOC(=O)c1[nH]cc(CCc2ccc(C(F)(F)F)cc2)c1C.CCOC(=O)c1[nH]ccc1C.Cc1c(CCc2ccc(C(F)(F)F)cc2)c[nH]c1C(=O)O.O=C(Cl)Cc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C17H16F3NO3.C17H18F3NO2.C15H14F3NO2.C9H6ClF3O.C8H11NO2/c1-3-24-16(23)15-10(2)13(9-21-15)14(22)8-11-4-6-12(7-5-11)17(18,19)20;1-3-23-16(22)15-11(2)13(10-21-15)7-4-12-5-8-14(9-6-12)17(18,19)20;1-9-11(8-19-13(9)14(20)21)5-2-10-3-6-12(7-4-10)15(16,17)18;10-8(14)5-6-1-3-7(4-2-6)9(11,12)13;1-3-11-8(10)7-6(2)4-5-9-7/h4-7,9,21H,3,8H2,1-2H3;5-6,8-10,21H,3-4,7H2,1-2H3;3-4,6-8,19H,2,5H2,1H3,(H,20,21);1-4H,5H2;4-5,9H,3H2,1-2H3
• InChIKey: NOJZAYHSPVDOSF-UHFFFAOYSA-N
• XLogP: 16.59
• TPSA: 213.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1337.69
LogP ≤ 5	16.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylate;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;2-[4-(trifluoromethyl)phenyl]acetyl chloride?

The IUPAC name of ethyl 3-methyl-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylate;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;2-[4-(trifluoromethyl)phenyl]acetyl chloride (CID 159838609) is ethyl 3-methyl-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylate;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;2-[4-(trifluoromethyl)phenyl]acetyl chloride.

What is the SMILES notation for ethyl 3-methyl-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylate;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;2-[4-(trifluoromethyl)phenyl]acetyl chloride?

The canonical SMILES for ethyl 3-methyl-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylate;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;2-[4-(trifluoromethyl)phenyl]acetyl chloride is CCOC(=O)c1[nH]cc(C(=O)Cc2ccc(C(F)(F)F)cc2)c1C.CCOC(=O)c1[nH]cc(CCc2ccc(C(F)(F)F)cc2)c1C.CCOC(=O)c1[nH]ccc1C.Cc1c(CCc2ccc(C(F)(F)F)cc2)c[nH]c1C(=O)O.O=C(Cl)Cc1ccc(C(F)(F)F)cc1.

What is the InChIKey of ethyl 3-methyl-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylate;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;2-[4-(trifluoromethyl)phenyl]acetyl chloride?

The InChIKey is NOJZAYHSPVDOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3.C17H18F3NO2.C15H14F3NO2.C9H6ClF3O.C8H11NO2/c1-3-24-16(23)15-10(2)13(9-21-15)14(22)8-11-4-6-12(7-5-11)17(18,19)20;1-3-23-16(22)15-11(2)13(10-21-15)7-4-12-5-8-14(9-6-12)17(18,19)20;1-9-11(8-19-13(9)14(20)21)5-2-10-3-6-12(7-4-10)15(16,17)18;10-8(14)5-6-1-3-7(4-2-6)9(11,12)13;1-3-11-8(10)7-6(2)4-5-9-7/h4-7,9,21H,3,8H2,1-2H3;5-6,8-10,21H,3-4,7H2,1-2H3;3-4,6-8,19H,2,5H2,1H3,(H,20,21);1-4H,5H2;4-5,9H,3H2,1-2H3.

What are the key properties of ethyl 3-methyl-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylate;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;2-[4-(trifluoromethyl)phenyl]acetyl chloride?

ethyl 3-methyl-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylate;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;2-[4-(trifluoromethyl)phenyl]acetyl chloride has a molecular weight of 1337.69 g/mol, XLogP of 16.59, 18 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-methyl-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylate;ethyl 3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylate;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;2-[4-(trifluoromethyl)phenyl]acetyl chloride is sourced from PubChem (CID 159838609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).