potassium;acetyl 2,2,2-trifluoroacetate;4-chloro-1-(3,3-difluoropropyl)indole-3-carboxylic acid;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1-(3,3-dimethoxypropyl)indole;1-[4-chloro-1-(3,3-dimethoxypropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1H-indole;3-[4-chloro-3-(2,2,2-trifluoroacetyl)indol-1-yl]propanal;deuterio(fluoro)methane;1,1-dimethoxybutane;oxolane;hydroxide;hydrochloride

C109H117Cl8F21KN7O18 — CID 160905929

About potassium;acetyl 2,2,2-trifluoroacetate;4-chloro-1-(3,3-difluoropropyl)indole-3-carboxylic acid;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1-(3,3-dimethoxypropyl)indole;1-[4-chloro-1-(3,3-dimethoxypropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1H-indole;3-[4-chloro-3-(2,2,2-trifluoroacetyl)indol-1-yl]propanal;deuterio(fluoro)methane;1,1-dimethoxybutane;oxolane;hydroxide;hydrochloride

potassium;acetyl 2,2,2-trifluoroacetate;4-chloro-1-(3,3-difluoropropyl)indole-3-carboxylic acid;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1-(3,3-dimethoxypropyl)indole;1-[4-chloro-1-(3,3-dimethoxypropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1H-indole;3-[4-chloro-3-(2,2,2-trifluoroacetyl)indol-1-yl]propanal;deuterio(fluoro)methane;1,1-dimethoxybutane;oxolane;hydroxide;hydrochloride (PubChem CID 160905929) has the molecular formula C109H117Cl8F21KN7O18 and a molecular weight of 2535.85 g/mol. Its IUPAC name is potassium;acetyl 2,2,2-trifluoroacetate;4-chloro-1-(3,3-difluoropropyl)indole-3-carboxylic acid;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1-(3,3-dimethoxypropyl)indole;1-[4-chloro-1-(3,3-dimethoxypropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1H-indole;3-[4-chloro-3-(2,2,2-trifluoroacetyl)indol-1-yl]propanal;deuterio(fluoro)methane;1,1-dimethoxybutane;oxolane;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: potassium;acetyl 2,2,2-trifluoroacetate;4-chloro-1-(3,3-difluoropropyl)indole-3-carboxylic acid;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1-(3,3-dimethoxypropyl)indole;1-[4-chloro-1-(3,3-dimethoxypropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1H-indole;3-[4-chloro-3-(2,2,2-trifluoroacetyl)indol-1-yl]propanal;deuterio(fluoro)methane;1,1-dimethoxybutane;oxolane;hydroxide;hydrochloride
• PubChem CID: 160905929
• Molecular Formula: C109H117Cl8F21KN7O18
• Molecular Weight: 2535.85 g/mol
• Exact Mass: 2530.53
• IUPAC Name: potassium;acetyl 2,2,2-trifluoroacetate;4-chloro-1-(3,3-difluoropropyl)indole-3-carboxylic acid;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1-(3,3-dimethoxypropyl)indole;1-[4-chloro-1-(3,3-dimethoxypropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1H-indole;3-[4-chloro-3-(2,2,2-trifluoroacetyl)indol-1-yl]propanal;deuterio(fluoro)methane;1,1-dimethoxybutane;oxolane;hydroxide;hydrochloride
• SMILES: C1CCOC1.CC(=O)OC(=O)C(F)(F)F.CCCC(OC)OC.COC(CCn1cc(C(=O)C(F)(F)F)c2c(Cl)cccc21)OC.COC(CCn1ccc2c(Cl)cccc21)OC.Cl.Clc1cccc2[nH]ccc12.O=C(CCC1CCC(F)(F)CC1)c1cn(CCC(F)F)c2cccc(Cl)c12.O=C(O)c1cn(CCC(F)F)c2cccc(Cl)c12.O=C(c1cn(CCC(F)F)c2cccc(Cl)c12)C(F)(F)F.O=CCCn1cc(C(=O)C(F)(F)F)c2c(Cl)cccc21.[2H]CF.[K+].[OH-]
• InChI: InChI=1S/C20H22ClF4NO.C15H15ClF3NO3.C13H9ClF5NO.C13H9ClF3NO2.C13H16ClNO2.C12H10ClF2NO2.C8H6ClN.C6H14O2.C4H3F3O3.C4H8O.CH3F.ClH.K.H2O/c21-15-2-1-3-16-19(15)14(12-26(16)11-8-18(22)23)17(27)5-4-13-6-9-20(24,25)10-7-13;1-22-12(23-2)6-7-20-8-9(14(21)15(17,18)19)13-10(16)4-3-5-11(13)20;14-8-2-1-3-9-11(8)7(12(21)13(17,18)19)6-20(9)5-4-10(15)16;14-9-3-1-4-10-11(9)8(12(20)13(15,16)17)7-18(10)5-2-6-19;1-16-13(17-2)7-9-15-8-6-10-11(14)4-3-5-12(10)15;13-8-2-1-3-9-11(8)7(12(17)18)6-16(9)5-4-10(14)15;9-7-2-1-3-8-6(7)4-5-10-8;1-4-5-6(7-2)8-3;1-2(8)10-3(9)4(5,6)7;1-2-4-5-3-1;1-2;;;/h1-3,12-13,18H,4-11H2;3-5,8,12H,6-7H2,1-2H3;1-3,6,10H,4-5H2;1,3-4,6-7H,2,5H2;3-6,8,13H,7,9H2,1-2H3;1-3,6,10H,4-5H2,(H,17,18);1-5,10H;6H,4-5H2,1-3H3;1H3;1-4H2;1H3;1H;;1H2/q;;;;;;;;;;;;+1;/p-1/i;;;;;;;;;;1D
• InChIKey: GMSIRTBUPZMTQU-KTKLTATFSA-M
• XLogP: 29.56
• TPSA: 306.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 34
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2535.85
LogP ≤ 5	29.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;acetyl 2,2,2-trifluoroacetate;4-chloro-1-(3,3-difluoropropyl)indole-3-carboxylic acid;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1-(3,3-dimethoxypropyl)indole;1-[4-chloro-1-(3,3-dimethoxypropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1H-indole;3-[4-chloro-3-(2,2,2-trifluoroacetyl)indol-1-yl]propanal;deuterio(fluoro)methane;1,1-dimethoxybutane;oxolane;hydroxide;hydrochloride?

The IUPAC name of potassium;acetyl 2,2,2-trifluoroacetate;4-chloro-1-(3,3-difluoropropyl)indole-3-carboxylic acid;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1-(3,3-dimethoxypropyl)indole;1-[4-chloro-1-(3,3-dimethoxypropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1H-indole;3-[4-chloro-3-(2,2,2-trifluoroacetyl)indol-1-yl]propanal;deuterio(fluoro)methane;1,1-dimethoxybutane;oxolane;hydroxide;hydrochloride (CID 160905929) is potassium;acetyl 2,2,2-trifluoroacetate;4-chloro-1-(3,3-difluoropropyl)indole-3-carboxylic acid;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1-(3,3-dimethoxypropyl)indole;1-[4-chloro-1-(3,3-dimethoxypropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1H-indole;3-[4-chloro-3-(2,2,2-trifluoroacetyl)indol-1-yl]propanal;deuterio(fluoro)methane;1,1-dimethoxybutane;oxolane;hydroxide;hydrochloride.

What is the SMILES notation for potassium;acetyl 2,2,2-trifluoroacetate;4-chloro-1-(3,3-difluoropropyl)indole-3-carboxylic acid;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1-(3,3-dimethoxypropyl)indole;1-[4-chloro-1-(3,3-dimethoxypropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1H-indole;3-[4-chloro-3-(2,2,2-trifluoroacetyl)indol-1-yl]propanal;deuterio(fluoro)methane;1,1-dimethoxybutane;oxolane;hydroxide;hydrochloride?

The canonical SMILES for potassium;acetyl 2,2,2-trifluoroacetate;4-chloro-1-(3,3-difluoropropyl)indole-3-carboxylic acid;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1-(3,3-dimethoxypropyl)indole;1-[4-chloro-1-(3,3-dimethoxypropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1H-indole;3-[4-chloro-3-(2,2,2-trifluoroacetyl)indol-1-yl]propanal;deuterio(fluoro)methane;1,1-dimethoxybutane;oxolane;hydroxide;hydrochloride is C1CCOC1.CC(=O)OC(=O)C(F)(F)F.CCCC(OC)OC.COC(CCn1cc(C(=O)C(F)(F)F)c2c(Cl)cccc21)OC.COC(CCn1ccc2c(Cl)cccc21)OC.Cl.Clc1cccc2[nH]ccc12.O=C(CCC1CCC(F)(F)CC1)c1cn(CCC(F)F)c2cccc(Cl)c12.O=C(O)c1cn(CCC(F)F)c2cccc(Cl)c12.O=C(c1cn(CCC(F)F)c2cccc(Cl)c12)C(F)(F)F.O=CCCn1cc(C(=O)C(F)(F)F)c2c(Cl)cccc21.[2H]CF.[K+].[OH-].

What is the InChIKey of potassium;acetyl 2,2,2-trifluoroacetate;4-chloro-1-(3,3-difluoropropyl)indole-3-carboxylic acid;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1-(3,3-dimethoxypropyl)indole;1-[4-chloro-1-(3,3-dimethoxypropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1H-indole;3-[4-chloro-3-(2,2,2-trifluoroacetyl)indol-1-yl]propanal;deuterio(fluoro)methane;1,1-dimethoxybutane;oxolane;hydroxide;hydrochloride?

The InChIKey is GMSIRTBUPZMTQU-KTKLTATFSA-M. The full InChI is InChI=1S/C20H22ClF4NO.C15H15ClF3NO3.C13H9ClF5NO.C13H9ClF3NO2.C13H16ClNO2.C12H10ClF2NO2.C8H6ClN.C6H14O2.C4H3F3O3.C4H8O.CH3F.ClH.K.H2O/c21-15-2-1-3-16-19(15)14(12-26(16)11-8-18(22)23)17(27)5-4-13-6-9-20(24,25)10-7-13;1-22-12(23-2)6-7-20-8-9(14(21)15(17,18)19)13-10(16)4-3-5-11(13)20;14-8-2-1-3-9-11(8)7(12(21)13(17,18)19)6-20(9)5-4-10(15)16;14-9-3-1-4-10-11(9)8(12(20)13(15,16)17)7-18(10)5-2-6-19;1-16-13(17-2)7-9-15-8-6-10-11(14)4-3-5-12(10)15;13-8-2-1-3-9-11(8)7(12(17)18)6-16(9)5-4-10(14)15;9-7-2-1-3-8-6(7)4-5-10-8;1-4-5-6(7-2)8-3;1-2(8)10-3(9)4(5,6)7;1-2-4-5-3-1;1-2;;;/h1-3,12-13,18H,4-11H2;3-5,8,12H,6-7H2,1-2H3;1-3,6,10H,4-5H2;1,3-4,6-7H,2,5H2;3-6,8,13H,7,9H2,1-2H3;1-3,6,10H,4-5H2,(H,17,18);1-5,10H;6H,4-5H2,1-3H3;1H3;1-4H2;1H3;1H;;1H2/q;;;;;;;;;;;;+1;/p-1/i;;;;;;;;;;1D;;;.

What are the key properties of potassium;acetyl 2,2,2-trifluoroacetate;4-chloro-1-(3,3-difluoropropyl)indole-3-carboxylic acid;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1-(3,3-dimethoxypropyl)indole;1-[4-chloro-1-(3,3-dimethoxypropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1H-indole;3-[4-chloro-3-(2,2,2-trifluoroacetyl)indol-1-yl]propanal;deuterio(fluoro)methane;1,1-dimethoxybutane;oxolane;hydroxide;hydrochloride?

potassium;acetyl 2,2,2-trifluoroacetate;4-chloro-1-(3,3-difluoropropyl)indole-3-carboxylic acid;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1-(3,3-dimethoxypropyl)indole;1-[4-chloro-1-(3,3-dimethoxypropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1H-indole;3-[4-chloro-3-(2,2,2-trifluoroacetyl)indol-1-yl]propanal;deuterio(fluoro)methane;1,1-dimethoxybutane;oxolane;hydroxide;hydrochloride has a molecular weight of 2535.85 g/mol, XLogP of 29.56, 34 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;acetyl 2,2,2-trifluoroacetate;4-chloro-1-(3,3-difluoropropyl)indole-3-carboxylic acid;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(3,3-difluoropropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1-(3,3-dimethoxypropyl)indole;1-[4-chloro-1-(3,3-dimethoxypropyl)indol-3-yl]-2,2,2-trifluoroethanone;4-chloro-1H-indole;3-[4-chloro-3-(2,2,2-trifluoroacetyl)indol-1-yl]propanal;deuterio(fluoro)methane;1,1-dimethoxybutane;oxolane;hydroxide;hydrochloride is sourced from PubChem (CID 160905929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).