potassium;sodium;1-bromo-2-chloroethane;5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;2,2-difluoro-1,3-benzodioxole-5-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;methane;thionyl dichloride;dihydroxide

C73H68BrCl5F14KN2NaO23S — CID 167601972

About potassium;sodium;1-bromo-2-chloroethane;5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;2,2-difluoro-1,3-benzodioxole-5-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;methane;thionyl dichloride;dihydroxide

potassium;sodium;1-bromo-2-chloroethane;5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;2,2-difluoro-1,3-benzodioxole-5-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;methane;thionyl dichloride;dihydroxide (PubChem CID 167601972) has the molecular formula C73H68BrCl5F14KN2NaO23S and a molecular weight of 1958.63 g/mol. Its IUPAC name is potassium;sodium;1-bromo-2-chloroethane;5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;2,2-difluoro-1,3-benzodioxole-5-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;methane;thionyl dichloride;dihydroxide.

Molecular Properties

• Compound Name: potassium;sodium;1-bromo-2-chloroethane;5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;2,2-difluoro-1,3-benzodioxole-5-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;methane;thionyl dichloride;dihydroxide
• PubChem CID: 167601972
• Molecular Formula: C73H68BrCl5F14KN2NaO23S
• Molecular Weight: 1958.63 g/mol
• Exact Mass: 1954.09
• IUPAC Name: potassium;sodium;1-bromo-2-chloroethane;5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;2,2-difluoro-1,3-benzodioxole-5-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;methane;thionyl dichloride;dihydroxide
• SMILES: C.C.C.C.C.ClCCBr.FC1(F)Oc2ccc(CCl)cc2O1.N#CC1(c2ccc3c(c2)OC(F)(F)O3)CC1.N#CCc1ccc2c(c1)OC(F)(F)O2.O=C(Cl)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(O)c1ccc2c(c1)OC(F)(F)O2.O=S(Cl)Cl.OCc1ccc2c(c1)OC(F)(F)O2.[K+].[Na+].[OH-].[OH-]
• InChI: InChI=1S/C11H7ClF2O3.C11H7F2NO2.C11H8F2O4.C9H5F2NO2.C8H5ClF2O2.C8H4F2O4.C8H6F2O3.C2H4BrCl.5CH4.Cl2OS.K.Na.2H2O/c12-9(15)10(3-4-10)6-1-2-7-8(5-6)17-11(13,14)16-7;12-11(13)15-8-2-1-7(5-9(8)16-11)10(6-14)3-4-10;12-11(13)16-7-2-1-6(5-8(7)17-11)10(3-4-10)9(14)15;10-9(11)13-7-2-1-6(3-4-12)5-8(7)14-9;9-4-5-1-2-6-7(3-5)13-8(10,11)12-6;9-8(10)13-5-2-1-4(7(11)12)3-6(5)14-8;9-8(10)12-6-2-1-5(4-11)3-7(6)13-8;3-1-2-4;;;;;;1-4(2)3;;;;/h1-2,5H,3-4H2;1-2,5H,3-4H2;1-2,5H,3-4H2,(H,14,15);1-2,5H,3H2;1-3H,4H2;1-3H,(H,11,12);1-3,11H,4H2;1-2H2;5*1H4;;;;2*1H2/q;;;;;;;;;;;;;;2*+1;;/p-2
• InChIKey: JWBKWJFAKWIRLF-UHFFFAOYSA-L
• XLogP: 15.02
• TPSA: 365.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1958.63
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

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 potassium;sodium;1-bromo-2-chloroethane;5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;2,2-difluoro-1,3-benzodioxole-5-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;methane;thionyl dichloride;dihydroxide?

The IUPAC name of potassium;sodium;1-bromo-2-chloroethane;5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;2,2-difluoro-1,3-benzodioxole-5-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;methane;thionyl dichloride;dihydroxide (CID 167601972) is potassium;sodium;1-bromo-2-chloroethane;5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;2,2-difluoro-1,3-benzodioxole-5-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;methane;thionyl dichloride;dihydroxide.

What is the SMILES notation for potassium;sodium;1-bromo-2-chloroethane;5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;2,2-difluoro-1,3-benzodioxole-5-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;methane;thionyl dichloride;dihydroxide?

The canonical SMILES for potassium;sodium;1-bromo-2-chloroethane;5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;2,2-difluoro-1,3-benzodioxole-5-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;methane;thionyl dichloride;dihydroxide is C.C.C.C.C.ClCCBr.FC1(F)Oc2ccc(CCl)cc2O1.N#CC1(c2ccc3c(c2)OC(F)(F)O3)CC1.N#CCc1ccc2c(c1)OC(F)(F)O2.O=C(Cl)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=C(O)c1ccc2c(c1)OC(F)(F)O2.O=S(Cl)Cl.OCc1ccc2c(c1)OC(F)(F)O2.[K+].[Na+].[OH-].[OH-].

What is the InChIKey of potassium;sodium;1-bromo-2-chloroethane;5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;2,2-difluoro-1,3-benzodioxole-5-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;methane;thionyl dichloride;dihydroxide?

The InChIKey is JWBKWJFAKWIRLF-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H7ClF2O3.C11H7F2NO2.C11H8F2O4.C9H5F2NO2.C8H5ClF2O2.C8H4F2O4.C8H6F2O3.C2H4BrCl.5CH4.Cl2OS.K.Na.2H2O/c12-9(15)10(3-4-10)6-1-2-7-8(5-6)17-11(13,14)16-7;12-11(13)15-8-2-1-7(5-9(8)16-11)10(6-14)3-4-10;12-11(13)16-7-2-1-6(5-8(7)17-11)10(3-4-10)9(14)15;10-9(11)13-7-2-1-6(3-4-12)5-8(7)14-9;9-4-5-1-2-6-7(3-5)13-8(10,11)12-6;9-8(10)13-5-2-1-4(7(11)12)3-6(5)14-8;9-8(10)12-6-2-1-5(4-11)3-7(6)13-8;3-1-2-4;;;;;;1-4(2)3;;;;/h1-2,5H,3-4H2;1-2,5H,3-4H2;1-2,5H,3-4H2,(H,14,15);1-2,5H,3H2;1-3H,4H2;1-3H,(H,11,12);1-3,11H,4H2;1-2H2;5*1H4;;;;2*1H2/q;;;;;;;;;;;;;;2*+1;;/p-2.

What are the key properties of potassium;sodium;1-bromo-2-chloroethane;5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;2,2-difluoro-1,3-benzodioxole-5-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;methane;thionyl dichloride;dihydroxide?

potassium;sodium;1-bromo-2-chloroethane;5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;2,2-difluoro-1,3-benzodioxole-5-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;methane;thionyl dichloride;dihydroxide has a molecular weight of 1958.63 g/mol, XLogP of 15.02, 10 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;sodium;1-bromo-2-chloroethane;5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;2,2-difluoro-1,3-benzodioxole-5-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;methane;thionyl dichloride;dihydroxide is sourced from PubChem (CID 167601972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).