lithium;trisodium;alumane;1-bromo-2-chloroethane;bis(5-bromo-2,2-difluoro-1,3-benzodioxole);5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;2,2-difluoro-5-methyl-1,3-benzodioxole;hydride;methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate;bis(palladium);thionyl dichloride;octakis(triphenylphosphane);cyanide;dihydroxide

C225H179AlBr3Cl4F18LiN3Na3O26P8Pd2S — CID 158942680

IUPAClithium;trisodium;alumane;1-bromo-2-chloroethane;bis(5-bromo-2,2-difluoro-1,3-benzodioxole);5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;2,2-difluoro-5-methyl-1,3-benzodioxole;hydride;methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate;bis(palladium);thionyl dichloride;octakis(triphenylphosphane);cyanide;dihydroxide
SMILESCOC(=O)c1ccc2c(c1)OC(F)(F)O2.Cc1ccc2c(c1)OC(F)(F)O2.ClCCBr.FC1(F)Oc2ccc(Br)cc2O1.FC1(F)Oc2ccc(Br)cc2O1.FC1(F)Oc2ccc(CCl)cc2O1.N#CC1(c2ccc3c(c2)OC(F)(F)O3)CC1.N#CCc1ccc2c(c1)OC(F)(F)O2.O=C(O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=S(Cl)Cl.OCc1ccc2c(c1)OC(F)(F)O2.[AlH3].[C-]#N.[H-].[Li+].[Na+].[Na+].[Na+].[OH-].[OH-].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/8C18H15P.C11H7F2NO2.C11H8F2O4.C9H5F2NO2.C9H6F2O4.C8H5ClF2O2.C8H6F2O3.C8H6F2O2.2C7H3BrF2O2.C2H4BrCl.CN.Al.Cl2OS.Li.3Na.2H2O.2Pd.4H/c8*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;1-13-8(12)5-2-3-6-7(4-5)15-9(10,11)14-6;9-4-5-1-2-6-7(3-5)13-8(10,11)12-6;9-8(10)12-6-2-1-5(4-11)3-7(6)13-8;1-5-2-3-6-7(4-5)12-8(9,10)11-6;2*8-4-1-2-5-6(3-4)12-7(9,10)11-5;3-1-2-4;1-2;;1-4(2)3;;;;;;;;;;;;/h8*1-15H;1-2,5H,3-4H2;1-2,5H,3-4H2,(H,14,15);1-2,5H,3H2;2-4H,1H3;1-3H,4H2;1-3,11H,4H2;2-4H,1H3;2*1-3H;1-2H2;;;;;;;;2*1H2;;;;;;/q;;;;;;;;;;;;;;;;;;-1;;;4*+1;;;;;;;;-1/p-2
InChIKeyUBHFCFMZJVEYKR-UHFFFAOYSA-L
MW4659.98 g/mol
LogP37.57
Rot. Bonds32

About lithium;trisodium;alumane;1-bromo-2-chloroethane;bis(5-bromo-2,2-difluoro-1,3-benzodioxole);5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;2,2-difluoro-5-methyl-1,3-benzodioxole;hydride;methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate;bis(palladium);thionyl dichloride;octakis(triphenylphosphane);cyanide;dihydroxide

lithium;trisodium;alumane;1-bromo-2-chloroethane;bis(5-bromo-2,2-difluoro-1,3-benzodioxole);5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;2,2-difluoro-5-methyl-1,3-benzodioxole;hydride;methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate;bis(palladium);thionyl dichloride;octakis(triphenylphosphane);cyanide;dihydroxide (PubChem CID 158942680) has the molecular formula C225H179AlBr3Cl4F18LiN3Na3O26P8Pd2S and a molecular weight of 4659.98 g/mol. Its IUPAC name is lithium;trisodium;alumane;1-bromo-2-chloroethane;bis(5-bromo-2,2-difluoro-1,3-benzodioxole);5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;2,2-difluoro-5-methyl-1,3-benzodioxole;hydride;methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate;bis(palladium);thionyl dichloride;octakis(triphenylphosphane);cyanide;dihydroxide.

Molecular Properties

Compound Namelithium;trisodium;alumane;1-bromo-2-chloroethane;bis(5-bromo-2,2-difluoro-1,3-benzodioxole);5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;2,2-difluoro-5-methyl-1,3-benzodioxole;hydride;methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate;bis(palladium);thionyl dichloride;octakis(triphenylphosphane);cyanide;dihydroxide
PubChem CID158942680
Molecular FormulaC225H179AlBr3Cl4F18LiN3Na3O26P8Pd2S
Molecular Weight4659.98 g/mol
Exact Mass4651.42
IUPAC Namelithium;trisodium;alumane;1-bromo-2-chloroethane;bis(5-bromo-2,2-difluoro-1,3-benzodioxole);5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;2,2-difluoro-5-methyl-1,3-benzodioxole;hydride;methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate;bis(palladium);thionyl dichloride;octakis(triphenylphosphane);cyanide;dihydroxide
SMILESCOC(=O)c1ccc2c(c1)OC(F)(F)O2.Cc1ccc2c(c1)OC(F)(F)O2.ClCCBr.FC1(F)Oc2ccc(Br)cc2O1.FC1(F)Oc2ccc(Br)cc2O1.FC1(F)Oc2ccc(CCl)cc2O1.N#CC1(c2ccc3c(c2)OC(F)(F)O3)CC1.N#CCc1ccc2c(c1)OC(F)(F)O2.O=C(O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=S(Cl)Cl.OCc1ccc2c(c1)OC(F)(F)O2.[AlH3].[C-]#N.[H-].[Li+].[Na+].[Na+].[Na+].[OH-].[OH-].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/8C18H15P.C11H7F2NO2.C11H8F2O4.C9H5F2NO2.C9H6F2O4.C8H5ClF2O2.C8H6F2O3.C8H6F2O2.2C7H3BrF2O2.C2H4BrCl.CN.Al.Cl2OS.Li.3Na.2H2O.2Pd.4H/c8*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;1-13-8(12)5-2-3-6-7(4-5)15-9(10,11)14-6;9-4-5-1-2-6-7(3-5)13-8(10,11)12-6;9-8(10)12-6-2-1-5(4-11)3-7(6)13-8;1-5-2-3-6-7(4-5)12-8(9,10)11-6;2*8-4-1-2-5-6(3-4)12-7(9,10)11-5;3-1-2-4;1-2;;1-4(2)3;;;;;;;;;;;;/h8*1-15H;1-2,5H,3-4H2;1-2,5H,3-4H2,(H,14,15);1-2,5H,3H2;2-4H,1H3;1-3H,4H2;1-3,11H,4H2;2-4H,1H3;2*1-3H;1-2H2;;;;;;;;2*1H2;;;;;;/q;;;;;;;;;;;;;;;;;;-1;;;4*+1;;;;;;;;-1/p-2
InChIKeyUBHFCFMZJVEYKR-UHFFFAOYSA-L
XLogP37.57
TPSA398.41 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds32
Heavy Atoms295
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004659.98
LogP ≤ 537.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze lithium;trisodium;alumane;1-bromo-2-chloroethane;bis(5-bromo-2,2-difluoro-1,3-benzodioxole);5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;2,2-difluoro-5-methyl-1,3-benzodioxole;hydride;methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate;bis(palladium);thionyl dichloride;octakis(triphenylphosphane);cyanide;dihydroxide with MolForge

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Related Compounds

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
5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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;2,2-difluoro-5-methyl-1,3-benzodioxole
CID 157349084
1-bromo-2-chloroethane;5-bromo-2,2-difluoro-1,3-benzodioxole;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;ethyl 2-cyano-2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetate;methane;3-oxobutanenitrile;thionyl dichloride
CID 161148562
1-bromo-2-chloroethane;5-bromo-2,2-difluoro-1,3-benzodioxole;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;ethyl 2-cyano-2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetate;methane;3-oxobutanenitrile;thionyl dichloride
CID 159012587
1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
CID 69117095
2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile;2,2-difluoro-5-methyl-1,3-benzodioxole
CID 91066523
ethane;2-phenylacetonitrile;1-phenylcyclopropane-1-carbonitrile;1-phenylcyclopropane-1-carboxylic acid
CID 161210176
benzoic acid;bromobenzene;chloromethylbenzene;ethane;ethylbenzene;methyl benzoate;2-phenylacetonitrile;phenylmethanol;toluene
CID 162061632
sodium;N-[2-tert-butyl-1-(3-cyano-2-hydroxypropyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl] 4-methylbenzenesulfonate;cyanide
CID 158847275
N-(6-chloro-4-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 87555366
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159850278
1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-[4-(hydroxymethyl)phenyl]-4-methylphenyl]ethanone
CID 123978715

Frequently Asked Questions

What is the IUPAC name of lithium;trisodium;alumane;1-bromo-2-chloroethane;bis(5-bromo-2,2-difluoro-1,3-benzodioxole);5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;2,2-difluoro-5-methyl-1,3-benzodioxole;hydride;methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate;bis(palladium);thionyl dichloride;octakis(triphenylphosphane);cyanide;dihydroxide?
The IUPAC name of lithium;trisodium;alumane;1-bromo-2-chloroethane;bis(5-bromo-2,2-difluoro-1,3-benzodioxole);5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;2,2-difluoro-5-methyl-1,3-benzodioxole;hydride;methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate;bis(palladium);thionyl dichloride;octakis(triphenylphosphane);cyanide;dihydroxide (CID 158942680) is lithium;trisodium;alumane;1-bromo-2-chloroethane;bis(5-bromo-2,2-difluoro-1,3-benzodioxole);5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;2,2-difluoro-5-methyl-1,3-benzodioxole;hydride;methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate;bis(palladium);thionyl dichloride;octakis(triphenylphosphane);cyanide;dihydroxide.
What is the SMILES notation for lithium;trisodium;alumane;1-bromo-2-chloroethane;bis(5-bromo-2,2-difluoro-1,3-benzodioxole);5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;2,2-difluoro-5-methyl-1,3-benzodioxole;hydride;methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate;bis(palladium);thionyl dichloride;octakis(triphenylphosphane);cyanide;dihydroxide?
The canonical SMILES for lithium;trisodium;alumane;1-bromo-2-chloroethane;bis(5-bromo-2,2-difluoro-1,3-benzodioxole);5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;2,2-difluoro-5-methyl-1,3-benzodioxole;hydride;methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate;bis(palladium);thionyl dichloride;octakis(triphenylphosphane);cyanide;dihydroxide is COC(=O)c1ccc2c(c1)OC(F)(F)O2.Cc1ccc2c(c1)OC(F)(F)O2.ClCCBr.FC1(F)Oc2ccc(Br)cc2O1.FC1(F)Oc2ccc(Br)cc2O1.FC1(F)Oc2ccc(CCl)cc2O1.N#CC1(c2ccc3c(c2)OC(F)(F)O3)CC1.N#CCc1ccc2c(c1)OC(F)(F)O2.O=C(O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.O=S(Cl)Cl.OCc1ccc2c(c1)OC(F)(F)O2.[AlH3].[C-]#N.[H-].[Li+].[Na+].[Na+].[Na+].[OH-].[OH-].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of lithium;trisodium;alumane;1-bromo-2-chloroethane;bis(5-bromo-2,2-difluoro-1,3-benzodioxole);5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;2,2-difluoro-5-methyl-1,3-benzodioxole;hydride;methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate;bis(palladium);thionyl dichloride;octakis(triphenylphosphane);cyanide;dihydroxide?
The InChIKey is UBHFCFMZJVEYKR-UHFFFAOYSA-L. The full InChI is InChI=1S/8C18H15P.C11H7F2NO2.C11H8F2O4.C9H5F2NO2.C9H6F2O4.C8H5ClF2O2.C8H6F2O3.C8H6F2O2.2C7H3BrF2O2.C2H4BrCl.CN.Al.Cl2OS.Li.3Na.2H2O.2Pd.4H/c8*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;1-13-8(12)5-2-3-6-7(4-5)15-9(10,11)14-6;9-4-5-1-2-6-7(3-5)13-8(10,11)12-6;9-8(10)12-6-2-1-5(4-11)3-7(6)13-8;1-5-2-3-6-7(4-5)12-8(9,10)11-6;2*8-4-1-2-5-6(3-4)12-7(9,10)11-5;3-1-2-4;1-2;;1-4(2)3;;;;;;;;;;;;/h8*1-15H;1-2,5H,3-4H2;1-2,5H,3-4H2,(H,14,15);1-2,5H,3H2;2-4H,1H3;1-3H,4H2;1-3,11H,4H2;2-4H,1H3;2*1-3H;1-2H2;;;;;;;;2*1H2;;;;;;/q;;;;;;;;;;;;;;;;;;-1;;;4*+1;;;;;;;;-1/p-2.
What are the key properties of lithium;trisodium;alumane;1-bromo-2-chloroethane;bis(5-bromo-2,2-difluoro-1,3-benzodioxole);5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;2,2-difluoro-5-methyl-1,3-benzodioxole;hydride;methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate;bis(palladium);thionyl dichloride;octakis(triphenylphosphane);cyanide;dihydroxide?
lithium;trisodium;alumane;1-bromo-2-chloroethane;bis(5-bromo-2,2-difluoro-1,3-benzodioxole);5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;2,2-difluoro-5-methyl-1,3-benzodioxole;hydride;methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate;bis(palladium);thionyl dichloride;octakis(triphenylphosphane);cyanide;dihydroxide has a molecular weight of 4659.98 g/mol, XLogP of 37.57, 32 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;trisodium;alumane;1-bromo-2-chloroethane;bis(5-bromo-2,2-difluoro-1,3-benzodioxole);5-(chloromethyl)-2,2-difluoro-1,3-benzodioxole;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-carboxylic acid;(2,2-difluoro-1,3-benzodioxol-5-yl)methanol;2,2-difluoro-5-methyl-1,3-benzodioxole;hydride;methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate;bis(palladium);thionyl dichloride;octakis(triphenylphosphane);cyanide;dihydroxide is sourced from PubChem (CID 158942680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).