chloroform;cyclopenta-1,3-diene-1-carbonyl chloride;cyclopenta-1,3-diene-1-carboxylic acid;(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethanol;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethyl] 1H-pyrrole-2-carboxylate;dichloro(methoxy)methane;dihydroxide

C56H57Cl10F4N3O13 — CID 158036269

About chloroform;cyclopenta-1,3-diene-1-carbonyl chloride;cyclopenta-1,3-diene-1-carboxylic acid;(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethanol;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethyl] 1H-pyrrole-2-carboxylate;dichloro(methoxy)methane;dihydroxide

chloroform;cyclopenta-1,3-diene-1-carbonyl chloride;cyclopenta-1,3-diene-1-carboxylic acid;(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethanol;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethyl] 1H-pyrrole-2-carboxylate;dichloro(methoxy)methane;dihydroxide (PubChem CID 158036269) has the molecular formula C56H57Cl10F4N3O13 and a molecular weight of 1410.60 g/mol. Its IUPAC name is chloroform;cyclopenta-1,3-diene-1-carbonyl chloride;cyclopenta-1,3-diene-1-carboxylic acid;(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethanol;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethyl] 1H-pyrrole-2-carboxylate;dichloro(methoxy)methane;dihydroxide.

Molecular Properties

• Compound Name: chloroform;cyclopenta-1,3-diene-1-carbonyl chloride;cyclopenta-1,3-diene-1-carboxylic acid;(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethanol;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethyl] 1H-pyrrole-2-carboxylate;dichloro(methoxy)methane;dihydroxide
• PubChem CID: 158036269
• Molecular Formula: C56H57Cl10F4N3O13
• Molecular Weight: 1410.60 g/mol
• Exact Mass: 1405.07
• IUPAC Name: chloroform;cyclopenta-1,3-diene-1-carbonyl chloride;cyclopenta-1,3-diene-1-carboxylic acid;(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethanol;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethyl] 1H-pyrrole-2-carboxylate;dichloro(methoxy)methane;dihydroxide
• SMILES: COC(Cl)Cl.ClC(Cl)Cl.O=C(Cl)C1=CC=CC1.O=C(O)C1=CC=CC1.O=C(O[C@@H](Cc1c(Cl)c[nH+]cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1)c1ccc[nH]1.O[C@@H](Cc1c(Cl)c[nH+]cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1.[OH-].[OH-]
• InChI: InChI=1S/C23H20Cl2F2N2O4.C18H17Cl2F2NO3.C6H5ClO.C6H6O2.C2H4Cl2O.CHCl3.2H2O/c24-16-10-28-11-17(25)15(16)9-20(32-22(30)18-2-1-7-29-18)14-5-6-19(33-23(26)27)21(8-14)31-12-13-3-4-13;19-13-7-23-8-14(20)12(13)6-15(24)11-3-4-16(26-18(21)22)17(5-11)25-9-10-1-2-10;2*7-6(8)5-3-1-2-4-5;1-5-2(3)4;2-1(3)4;;/h1-2,5-8,10-11,13,20,23,29H,3-4,9,12H2;3-5,7-8,10,15,18,24H,1-2,6,9H2;1-3H,4H2;1-3H,4H2,(H,7,8);2H,1H3;1H;2*1H2/t20-;15-;;;;;;/m00....../s1
• InChIKey: CPLXVAHNIKNVPC-MCJKBSDASA-N
• XLogP: 15.76
• TPSA: 251.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1410.60
LogP ≤ 5	15.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloroform;cyclopenta-1,3-diene-1-carbonyl chloride;cyclopenta-1,3-diene-1-carboxylic acid;(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethanol;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethyl] 1H-pyrrole-2-carboxylate;dichloro(methoxy)methane;dihydroxide?

The IUPAC name of chloroform;cyclopenta-1,3-diene-1-carbonyl chloride;cyclopenta-1,3-diene-1-carboxylic acid;(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethanol;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethyl] 1H-pyrrole-2-carboxylate;dichloro(methoxy)methane;dihydroxide (CID 158036269) is chloroform;cyclopenta-1,3-diene-1-carbonyl chloride;cyclopenta-1,3-diene-1-carboxylic acid;(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethanol;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethyl] 1H-pyrrole-2-carboxylate;dichloro(methoxy)methane;dihydroxide.

What is the SMILES notation for chloroform;cyclopenta-1,3-diene-1-carbonyl chloride;cyclopenta-1,3-diene-1-carboxylic acid;(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethanol;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethyl] 1H-pyrrole-2-carboxylate;dichloro(methoxy)methane;dihydroxide?

The canonical SMILES for chloroform;cyclopenta-1,3-diene-1-carbonyl chloride;cyclopenta-1,3-diene-1-carboxylic acid;(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethanol;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethyl] 1H-pyrrole-2-carboxylate;dichloro(methoxy)methane;dihydroxide is COC(Cl)Cl.ClC(Cl)Cl.O=C(Cl)C1=CC=CC1.O=C(O)C1=CC=CC1.O=C(O[C@@H](Cc1c(Cl)c[nH+]cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1)c1ccc[nH]1.O[C@@H](Cc1c(Cl)c[nH+]cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1.[OH-].[OH-].

What is the InChIKey of chloroform;cyclopenta-1,3-diene-1-carbonyl chloride;cyclopenta-1,3-diene-1-carboxylic acid;(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethanol;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethyl] 1H-pyrrole-2-carboxylate;dichloro(methoxy)methane;dihydroxide?

The InChIKey is CPLXVAHNIKNVPC-MCJKBSDASA-N. The full InChI is InChI=1S/C23H20Cl2F2N2O4.C18H17Cl2F2NO3.C6H5ClO.C6H6O2.C2H4Cl2O.CHCl3.2H2O/c24-16-10-28-11-17(25)15(16)9-20(32-22(30)18-2-1-7-29-18)14-5-6-19(33-23(26)27)21(8-14)31-12-13-3-4-13;19-13-7-23-8-14(20)12(13)6-15(24)11-3-4-16(26-18(21)22)17(5-11)25-9-10-1-2-10;2*7-6(8)5-3-1-2-4-5;1-5-2(3)4;2-1(3)4;;/h1-2,5-8,10-11,13,20,23,29H,3-4,9,12H2;3-5,7-8,10,15,18,24H,1-2,6,9H2;1-3H,4H2;1-3H,4H2,(H,7,8);2H,1H3;1H;2*1H2/t20-;15-;;;;;;/m00....../s1.

What are the key properties of chloroform;cyclopenta-1,3-diene-1-carbonyl chloride;cyclopenta-1,3-diene-1-carboxylic acid;(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethanol;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethyl] 1H-pyrrole-2-carboxylate;dichloro(methoxy)methane;dihydroxide?

chloroform;cyclopenta-1,3-diene-1-carbonyl chloride;cyclopenta-1,3-diene-1-carboxylic acid;(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethanol;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethyl] 1H-pyrrole-2-carboxylate;dichloro(methoxy)methane;dihydroxide has a molecular weight of 1410.60 g/mol, XLogP of 15.76, 21 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for chloroform;cyclopenta-1,3-diene-1-carbonyl chloride;cyclopenta-1,3-diene-1-carboxylic acid;(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethanol;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethyl] 1H-pyrrole-2-carboxylate;dichloro(methoxy)methane;dihydroxide is sourced from PubChem (CID 158036269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).