2-(2-chloro-4-fluorophenyl)acetyl chloride;4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid;ethyl 4-[2-(2-chloro-4-fluorophenyl)acetyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 1H-pyrrole-2-carboxylate

C58H53Cl5F4N4O10 — CID 158366533

About 2-(2-chloro-4-fluorophenyl)acetyl chloride;4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid;ethyl 4-[2-(2-chloro-4-fluorophenyl)acetyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 1H-pyrrole-2-carboxylate

2-(2-chloro-4-fluorophenyl)acetyl chloride;4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid;ethyl 4-[2-(2-chloro-4-fluorophenyl)acetyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 1H-pyrrole-2-carboxylate (PubChem CID 158366533) has the molecular formula C58H53Cl5F4N4O10 and a molecular weight of 1219.34 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)acetyl chloride;4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid;ethyl 4-[2-(2-chloro-4-fluorophenyl)acetyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 1H-pyrrole-2-carboxylate.

Molecular Properties

• Compound Name: 2-(2-chloro-4-fluorophenyl)acetyl chloride;4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid;ethyl 4-[2-(2-chloro-4-fluorophenyl)acetyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 1H-pyrrole-2-carboxylate
• PubChem CID: 158366533
• Molecular Formula: C58H53Cl5F4N4O10
• Molecular Weight: 1219.34 g/mol
• Exact Mass: 1216.21
• IUPAC Name: 2-(2-chloro-4-fluorophenyl)acetyl chloride;4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid;ethyl 4-[2-(2-chloro-4-fluorophenyl)acetyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 1H-pyrrole-2-carboxylate
• SMILES: CCOC(=O)c1cc(C(=O)Cc2ccc(F)cc2Cl)c[nH]1.CCOC(=O)c1cc(CCc2ccc(F)cc2Cl)c[nH]1.CCOC(=O)c1ccc[nH]1.O=C(Cl)Cc1ccc(F)cc1Cl.O=C(O)c1cc(CCc2ccc(F)cc2Cl)c[nH]1
• InChI: InChI=1S/C15H13ClFNO3.C15H15ClFNO2.C13H11ClFNO2.C8H5Cl2FO.C7H9NO2/c1-2-21-15(20)13-5-10(8-18-13)14(19)6-9-3-4-11(17)7-12(9)16;1-2-20-15(19)14-7-10(9-18-14)3-4-11-5-6-12(17)8-13(11)16;14-11-6-10(15)4-3-9(11)2-1-8-5-12(13(17)18)16-7-8;9-7-4-6(11)2-1-5(7)3-8(10)12;1-2-10-7(9)6-4-3-5-8-6/h3-5,7-8,18H,2,6H2,1H3;5-9,18H,2-4H2,1H3;3-7,16H,1-2H2,(H,17,18);1-2,4H,3H2;3-5,8H,2H2,1H3
• InChIKey: GUCDYNMWYVGVME-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 213.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1219.34
LogP ≤ 5	14.45
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 2-(2-chloro-4-fluorophenyl)acetyl chloride;4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid;ethyl 4-[2-(2-chloro-4-fluorophenyl)acetyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 1H-pyrrole-2-carboxylate?

The IUPAC name of 2-(2-chloro-4-fluorophenyl)acetyl chloride;4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid;ethyl 4-[2-(2-chloro-4-fluorophenyl)acetyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 1H-pyrrole-2-carboxylate (CID 158366533) is 2-(2-chloro-4-fluorophenyl)acetyl chloride;4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid;ethyl 4-[2-(2-chloro-4-fluorophenyl)acetyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 1H-pyrrole-2-carboxylate.

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

The canonical SMILES for 2-(2-chloro-4-fluorophenyl)acetyl chloride;4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid;ethyl 4-[2-(2-chloro-4-fluorophenyl)acetyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 1H-pyrrole-2-carboxylate is CCOC(=O)c1cc(C(=O)Cc2ccc(F)cc2Cl)c[nH]1.CCOC(=O)c1cc(CCc2ccc(F)cc2Cl)c[nH]1.CCOC(=O)c1ccc[nH]1.O=C(Cl)Cc1ccc(F)cc1Cl.O=C(O)c1cc(CCc2ccc(F)cc2Cl)c[nH]1.

What is the InChIKey of 2-(2-chloro-4-fluorophenyl)acetyl chloride;4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid;ethyl 4-[2-(2-chloro-4-fluorophenyl)acetyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 1H-pyrrole-2-carboxylate?

The InChIKey is GUCDYNMWYVGVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3.C15H15ClFNO2.C13H11ClFNO2.C8H5Cl2FO.C7H9NO2/c1-2-21-15(20)13-5-10(8-18-13)14(19)6-9-3-4-11(17)7-12(9)16;1-2-20-15(19)14-7-10(9-18-14)3-4-11-5-6-12(17)8-13(11)16;14-11-6-10(15)4-3-9(11)2-1-8-5-12(13(17)18)16-7-8;9-7-4-6(11)2-1-5(7)3-8(10)12;1-2-10-7(9)6-4-3-5-8-6/h3-5,7-8,18H,2,6H2,1H3;5-9,18H,2-4H2,1H3;3-7,16H,1-2H2,(H,17,18);1-2,4H,3H2;3-5,8H,2H2,1H3.

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

2-(2-chloro-4-fluorophenyl)acetyl chloride;4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid;ethyl 4-[2-(2-chloro-4-fluorophenyl)acetyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 1H-pyrrole-2-carboxylate has a molecular weight of 1219.34 g/mol, XLogP of 14.45, 18 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-4-fluorophenyl)acetyl chloride;4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid;ethyl 4-[2-(2-chloro-4-fluorophenyl)acetyl]-1H-pyrrole-2-carboxylate;ethyl 4-[2-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrrole-2-carboxylate;ethyl 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 158366533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).