About 1-chloro-2-propan-2-ylbenzene;1-(4-chloro-3-propan-2-ylphenyl)ethanone;cumene;2,4-difluoro-1-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;3-propan-2-ylaniline;propan-2-ylcyclopentane;2-propan-2-ylphenol;3-propan-2-ylphenol;1-(3-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanol;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane
1-chloro-2-propan-2-ylbenzene;1-(4-chloro-3-propan-2-ylphenyl)ethanone;cumene;2,4-difluoro-1-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;3-propan-2-ylaniline;propan-2-ylcyclopentane;2-propan-2-ylphenol;3-propan-2-ylphenol;1-(3-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanol;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane (PubChem CID 158017380) has the molecular formula C239H324Cl2F13N3O10
and a molecular weight of 3717.11 g/mol. Its IUPAC name is 1-chloro-2-propan-2-ylbenzene;1-(4-chloro-3-propan-2-ylphenyl)ethanone;cumene;2,4-difluoro-1-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;3-propan-2-ylaniline;propan-2-ylcyclopentane;2-propan-2-ylphenol;3-propan-2-ylphenol;1-(3-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanol;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane.
Frequently Asked Questions
What is the IUPAC name of 1-chloro-2-propan-2-ylbenzene;1-(4-chloro-3-propan-2-ylphenyl)ethanone;cumene;2,4-difluoro-1-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;3-propan-2-ylaniline;propan-2-ylcyclopentane;2-propan-2-ylphenol;3-propan-2-ylphenol;1-(3-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanol;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane?
The IUPAC name of 1-chloro-2-propan-2-ylbenzene;1-(4-chloro-3-propan-2-ylphenyl)ethanone;cumene;2,4-difluoro-1-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;3-propan-2-ylaniline;propan-2-ylcyclopentane;2-propan-2-ylphenol;3-propan-2-ylphenol;1-(3-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanol;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane (CID 158017380) is 1-chloro-2-propan-2-ylbenzene;1-(4-chloro-3-propan-2-ylphenyl)ethanone;cumene;2,4-difluoro-1-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;3-propan-2-ylaniline;propan-2-ylcyclopentane;2-propan-2-ylphenol;3-propan-2-ylphenol;1-(3-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanol;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane.
What is the SMILES notation for 1-chloro-2-propan-2-ylbenzene;1-(4-chloro-3-propan-2-ylphenyl)ethanone;cumene;2,4-difluoro-1-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;3-propan-2-ylaniline;propan-2-ylcyclopentane;2-propan-2-ylphenol;3-propan-2-ylphenol;1-(3-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanol;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane?
The canonical SMILES for 1-chloro-2-propan-2-ylbenzene;1-(4-chloro-3-propan-2-ylphenyl)ethanone;cumene;2,4-difluoro-1-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;3-propan-2-ylaniline;propan-2-ylcyclopentane;2-propan-2-ylphenol;3-propan-2-ylphenol;1-(3-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanol;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane is CC(=O)c1ccc(C(C)C)cc1.CC(=O)c1ccc(Cl)c(C(C)C)c1.CC(=O)c1cccc(C(C)C)c1.CC(C)C(C)(C)C.CC(C)C1CCCC1.CC(C)c1ccc(C(C)O)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1F.CC(C)c1cccc(C(C)O)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc(N)c1.CC(C)c1cccc(O)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1O.CC(C)c1cccnc1.CC(C)c1ccncc1.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.
What is the InChIKey of 1-chloro-2-propan-2-ylbenzene;1-(4-chloro-3-propan-2-ylphenyl)ethanone;cumene;2,4-difluoro-1-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;3-propan-2-ylaniline;propan-2-ylcyclopentane;2-propan-2-ylphenol;3-propan-2-ylphenol;1-(3-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanol;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane?
The InChIKey is FFQFQWJROSEKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO.C11H16O.C11H14O.C11H16O.C11H14O.C10H11F3O.2C10H11F3.C10H13F.2C10H14O.3C10H14.C9H11Cl.C9H10F2.C9H11F.C9H13N.2C9H12O.C9H12.2C8H11N.C8H16.C7H16/c1-7(2)10-6-9(8(3)13)4-5-11(10)12;2*1-8(2)10-4-6-11(7-5-10)9(3)12;2*1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-3-7(10)5-9(8)11;3*1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-8;1-6(2)7(3,4)5/h4-7H,1-3H3;4-9,12H,1-3H3;4-8H,1-3H3;4-9,12H,1-3H3;4-8H,1-3H3;3-7H,1-2H3;2*3-7H,1-2H3;4-7H,1-3H3;2*4-8H,1-3H3;3*4-8H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7H,10H2,1-2H3;2*3-7,10H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;7-8H,3-6H2,1-2H3;6H,1-5H3.
What are the key properties of 1-chloro-2-propan-2-ylbenzene;1-(4-chloro-3-propan-2-ylphenyl)ethanone;cumene;2,4-difluoro-1-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;3-propan-2-ylaniline;propan-2-ylcyclopentane;2-propan-2-ylphenol;3-propan-2-ylphenol;1-(3-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanol;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane?
1-chloro-2-propan-2-ylbenzene;1-(4-chloro-3-propan-2-ylphenyl)ethanone;cumene;2,4-difluoro-1-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;3-propan-2-ylaniline;propan-2-ylcyclopentane;2-propan-2-ylphenol;3-propan-2-ylphenol;1-(3-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanol;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane has a molecular weight of 3717.11 g/mol, XLogP of 74.70, 32 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propan-2-ylbenzene;1-(4-chloro-3-propan-2-ylphenyl)ethanone;cumene;2,4-difluoro-1-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;3-propan-2-ylaniline;propan-2-ylcyclopentane;2-propan-2-ylphenol;3-propan-2-ylphenol;1-(3-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanol;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane is sourced from PubChem (CID 158017380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).