1-chloro-2-propan-2-ylbenzene;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene

C187H254ClF6N13O2S — CID 158890009

IUPAC1-chloro-2-propan-2-ylbenzene;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1CN(C)C.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1ncccc1F.CC(C)c1ncccn1.CCc1ccccc1C(C)C.COc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1cccnc1C(C)C.Cc1cccnc1C(C)C.Cc1cccnc1C(C)C.Cc1cccnc1C(C)C
InChIInChI=1S/C12H19N.C11H16.C10H11F3.C10H11N.C10H14O.C10H14.C9H11Cl.2C9H11F.4C9H13N.C9H12.C8H10FN.2C8H11N.2C7H10N2.C7H10O.C7H10S/c1-10(2)12-8-6-5-7-11(12)9-13(3)4;1-4-10-7-5-6-8-11(10)9(2)3;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;4*1-7(2)9-8(3)5-4-6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;2*1-6(2)7-4-3-5-8-7/h5-8,10H,9H2,1-4H3;5-9H,4H2,1-3H3;3-7H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3*3-7H,1-2H3;4*4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3
InChIKeyJECLVWTXMCUYFP-UHFFFAOYSA-N
MW2897.69 g/mol
LogP56.15
Rot. Bonds25

About 1-chloro-2-propan-2-ylbenzene;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene

1-chloro-2-propan-2-ylbenzene;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 158890009) has the molecular formula C187H254ClF6N13O2S and a molecular weight of 2897.69 g/mol. Its IUPAC name is 1-chloro-2-propan-2-ylbenzene;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-propan-2-ylbenzene;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene
PubChem CID158890009
Molecular FormulaC187H254ClF6N13O2S
Molecular Weight2897.69 g/mol
Exact Mass2894.95
IUPAC Name1-chloro-2-propan-2-ylbenzene;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1CN(C)C.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1ncccc1F.CC(C)c1ncccn1.CCc1ccccc1C(C)C.COc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1cccnc1C(C)C.Cc1cccnc1C(C)C.Cc1cccnc1C(C)C.Cc1cccnc1C(C)C
InChIInChI=1S/C12H19N.C11H16.C10H11F3.C10H11N.C10H14O.C10H14.C9H11Cl.2C9H11F.4C9H13N.C9H12.C8H10FN.2C8H11N.2C7H10N2.C7H10O.C7H10S/c1-10(2)12-8-6-5-7-11(12)9-13(3)4;1-4-10-7-5-6-8-11(10)9(2)3;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;4*1-7(2)9-8(3)5-4-6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;2*1-6(2)7-4-3-5-8-7/h5-8,10H,9H2,1-4H3;5-9H,4H2,1-3H3;3-7H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3*3-7H,1-2H3;4*4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3
InChIKeyJECLVWTXMCUYFP-UHFFFAOYSA-N
XLogP56.15
TPSA191.19 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002897.69
LogP ≤ 556.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-chloro-2-propan-2-ylbenzene;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene with MolForge

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Launch Full Analysis

Related Compounds

1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157182503
1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157618357
3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 158437834
1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 159631146
1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 160236712
1-Chloro-2-propan-2-ylbenzene;cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 161187809
1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 161488765
3-Chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane
CID 158547740
3-Chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane
CID 161455750
4-[[4-[4-(1-benzofuran-3-yl)-2,6-difluoroanilino]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[4-(2,3-dichloro-4-pyridinyl)-2,6-difluoroanilino]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[4-(2,6-dichloro-4-pyridinyl)-2,6-difluoroanilino]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-difluoro-4-(2-fluoro-4-pyridinyl)anilino]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-difluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]amino]benzonitrile;4-[[4-(2,6-difluoro-4-thiophen-3-ylanilino)pyrimidin-2-yl]amino]benzonitrile
CID 163576486

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propan-2-ylbenzene;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-propan-2-ylbenzene;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene (CID 158890009) is 1-chloro-2-propan-2-ylbenzene;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-propan-2-ylbenzene;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-propan-2-ylbenzene;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene is CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1CN(C)C.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1ncccc1F.CC(C)c1ncccn1.CCc1ccccc1C(C)C.COc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1cccnc1C(C)C.Cc1cccnc1C(C)C.Cc1cccnc1C(C)C.Cc1cccnc1C(C)C.
What is the InChIKey of 1-chloro-2-propan-2-ylbenzene;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene?
The InChIKey is JECLVWTXMCUYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C11H16.C10H11F3.C10H11N.C10H14O.C10H14.C9H11Cl.2C9H11F.4C9H13N.C9H12.C8H10FN.2C8H11N.2C7H10N2.C7H10O.C7H10S/c1-10(2)12-8-6-5-7-11(12)9-13(3)4;1-4-10-7-5-6-8-11(10)9(2)3;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;4*1-7(2)9-8(3)5-4-6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;2*1-6(2)7-4-3-5-8-7/h5-8,10H,9H2,1-4H3;5-9H,4H2,1-3H3;3-7H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3*3-7H,1-2H3;4*4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 1-chloro-2-propan-2-ylbenzene;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene?
1-chloro-2-propan-2-ylbenzene;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 2897.69 g/mol, XLogP of 56.15, 25 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propan-2-ylbenzene;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(3-methyl-2-propan-2-ylpyridine);2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 158890009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).