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

C70H79AlCl6F12N4O10 — CID 162251777

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

dichloromethane;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;methane;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;trichloroalumane;2-[4-(trifluoromethyl)phenyl]acetyl chloride (PubChem CID 162251777) has the molecular formula C70H79AlCl6F12N4O10 and a molecular weight of 1604.10 g/mol. Its IUPAC name is dichloromethane;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;methane;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;trichloroalumane;2-[4-(trifluoromethyl)phenyl]acetyl chloride.

Molecular Properties

• Compound Name: dichloromethane;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;methane;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;trichloroalumane;2-[4-(trifluoromethyl)phenyl]acetyl chloride
• PubChem CID: 162251777
• Molecular Formula: C70H79AlCl6F12N4O10
• Molecular Weight: 1604.10 g/mol
• Exact Mass: 1600.36
• IUPAC Name: dichloromethane;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;methane;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;trichloroalumane;2-[4-(trifluoromethyl)phenyl]acetyl chloride
• SMILES: C.C.C.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.ClCCl.Cl[Al](Cl)Cl.O=C(Cl)Cc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C17H16F3NO3.C17H18F3NO2.C15H14F3NO2.C9H6ClF3O.C8H11NO2.CH2Cl2.3CH4.Al.3ClH/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;2-1-3;;;;;;;/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;1H2;3*1H4;;3*1H/q;;;;;;;;;+3;;;/p-3
• InChIKey: ZYBVGXRPZJUXHO-UHFFFAOYSA-K
• XLogP: 21.60
• TPSA: 213.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1604.10
LogP ≤ 5	21.60
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'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of dichloromethane;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;methane;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;trichloroalumane;2-[4-(trifluoromethyl)phenyl]acetyl chloride (CID 162251777) is dichloromethane;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;methane;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;trichloroalumane;2-[4-(trifluoromethyl)phenyl]acetyl chloride.

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

The canonical SMILES for dichloromethane;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;methane;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;trichloroalumane;2-[4-(trifluoromethyl)phenyl]acetyl chloride is C.C.C.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.ClCCl.Cl[Al](Cl)Cl.O=C(Cl)Cc1ccc(C(F)(F)F)cc1.

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

The InChIKey is ZYBVGXRPZJUXHO-UHFFFAOYSA-K. The full InChI is InChI=1S/C17H16F3NO3.C17H18F3NO2.C15H14F3NO2.C9H6ClF3O.C8H11NO2.CH2Cl2.3CH4.Al.3ClH/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;2-1-3;;;;;;;/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;1H2;3*1H4;;3*1H/q;;;;;;;;;+3;;;/p-3.

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

dichloromethane;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;methane;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;trichloroalumane;2-[4-(trifluoromethyl)phenyl]acetyl chloride has a molecular weight of 1604.10 g/mol, XLogP of 21.60, 18 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;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;methane;3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxylic acid;trichloroalumane;2-[4-(trifluoromethyl)phenyl]acetyl chloride is sourced from PubChem (CID 162251777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).