1-tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene

C285H444F21N11S — CID 158807288

IUPAC1-tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene
SMILESC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc(-c2cccnc2)cc(C(F)(F)F)c1.CC(C)c1cc(F)c(F)c(F)c1.CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(C)(C)C)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(C2CCN(C)CC2)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cncc(-c2ccccc2)c1.CC(C)c1cncc(C(C)(C)C)c1.CC(C)c1cncc(C(F)(F)F)c1.CC(C)c1nc2ccccc2s1
InChIInChI=1S/C15H14F3N.C15H23N.C15H16.2C14H15N.C13H20.C12H19N.2C10H10F4.C10H11F3.C10H11NS.C10H11N.C9H10F3N.C9H9F3.C9H11F.C9H12.3C8H11N.19C4H10.CH4/c1-10(2)12-6-13(11-4-3-5-19-9-11)8-14(7-12)15(16,17)18;1-12(2)14-5-4-6-15(11-14)13-7-9-16(3)10-8-13;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)13-8-14(10-15-9-13)12-6-4-3-5-7-12;1-10(2)11-7-6-8-12(9-11)13(3,4)5;1-9(2)10-6-11(8-13-7-10)12(3,4)5;1-6(2)7-3-8(10(12,13)14)5-9(11)4-7;1-6(2)7-3-4-9(11)8(5-7)10(12,13)14;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10-5-3-4-9(6-10)7-11;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-5(2)6-3-7(10)9(12)8(11)4-6;1-7(2)8-4-3-5-9(10)6-8;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)8-5-3-4-6-9-8;19*1-4(2)3;/h3-10H,1-2H3;4-6,11-13H,7-10H2,1-3H3;3-12H,1-2H3;2*3-11H,1-2H3;6-10H,1-5H3;6-9H,1-5H3;2*3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;19*4H,1-3H3;1H4
InChIKeyIUFUFAAPVCMCOP-UHFFFAOYSA-N
MW4455.79 g/mol
LogP97.25
Rot. Bonds24

About 1-tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene

1-tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene (PubChem CID 158807288) has the molecular formula C285H444F21N11S and a molecular weight of 4455.79 g/mol. Its IUPAC name is 1-tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene
PubChem CID158807288
Molecular FormulaC285H444F21N11S
Molecular Weight4455.79 g/mol
Exact Mass4452.45
IUPAC Name1-tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene
SMILESC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc(-c2cccnc2)cc(C(F)(F)F)c1.CC(C)c1cc(F)c(F)c(F)c1.CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(C)(C)C)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(C2CCN(C)CC2)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cncc(-c2ccccc2)c1.CC(C)c1cncc(C(C)(C)C)c1.CC(C)c1cncc(C(F)(F)F)c1.CC(C)c1nc2ccccc2s1
InChIInChI=1S/C15H14F3N.C15H23N.C15H16.2C14H15N.C13H20.C12H19N.2C10H10F4.C10H11F3.C10H11NS.C10H11N.C9H10F3N.C9H9F3.C9H11F.C9H12.3C8H11N.19C4H10.CH4/c1-10(2)12-6-13(11-4-3-5-19-9-11)8-14(7-12)15(16,17)18;1-12(2)14-5-4-6-15(11-14)13-7-9-16(3)10-8-13;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)13-8-14(10-15-9-13)12-6-4-3-5-7-12;1-10(2)11-7-6-8-12(9-11)13(3,4)5;1-9(2)10-6-11(8-13-7-10)12(3,4)5;1-6(2)7-3-8(10(12,13)14)5-9(11)4-7;1-6(2)7-3-4-9(11)8(5-7)10(12,13)14;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10-5-3-4-9(6-10)7-11;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-5(2)6-3-7(10)9(12)8(11)4-6;1-7(2)8-4-3-5-9(10)6-8;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)8-5-3-4-6-9-8;19*1-4(2)3;/h3-10H,1-2H3;4-6,11-13H,7-10H2,1-3H3;3-12H,1-2H3;2*3-11H,1-2H3;6-10H,1-5H3;6-9H,1-5H3;2*3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;19*4H,1-3H3;1H4
InChIKeyIUFUFAAPVCMCOP-UHFFFAOYSA-N
XLogP97.25
TPSA143.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms318
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004455.79
LogP ≤ 597.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene with MolForge

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Launch Full Analysis

Related Compounds

2-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium
CID 157617596
2-[2-Fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyridine;2-thiophen-2-ylpyridine
CID 157935627
2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;5-(2,6-dimethylphenyl)-9-ethyl-3-pyridin-2-yl-2H-carbazol-2-ide;tris(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;heptakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine
CID 158665055
2-(1-Benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine
CID 158813685
2-[3-(5-Tert-butyl-1-methylpyridin-1-ium-2-yl)-4,6-difluoro-2-methylphenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(5-tert-butyl-1-methylpyridin-1-ium-2-yl)-2-methyl-5-(trifluoromethyl)phenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(5-tert-butyl-1-methylpyridin-1-ium-2-yl)-2,4,6-trimethylphenyl]-3-methyl-1,3-thiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium
CID 159496861
2-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium
CID 160178868
2-[2-(4-Tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-1,3-benzothiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-4-methyl-1,3-thiazole;5-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-methyl-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;5-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 160275332
4,5-Dimethyl-2-propan-2-yl-1,3-thiazole;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2,4-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;methane;5-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-methyl-4-propan-2-yl-1,3-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonitrile);2-propan-2-yl-1,3-benzothiazole-5-carbonitrile;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;bis(6-propan-2-ylpyridine-3-carbonitrile);2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;5-propan-2-yl-1,3-thiazole-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 160818259
3-Methyl-2-(2-methylphenyl)-1,3-benzothiazol-3-ium;2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine;2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine;1,2,3,4,5-pentafluoro-6-(3-phenylphenyl)benzene;2-[4-(2,3,4,6-tetrafluoro-5-methylphenyl)phenyl]pyridine
CID 161636227
3-Methyl-2-phenyl-1,3-benzothiazol-3-ium;2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine;2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine;1,2,3,4,5-pentafluoro-6-(3-phenylphenyl)benzene;2-[4-(2,3,4,6-tetrafluoro-5-methylphenyl)phenyl]pyridine
CID 162227020
2-[3,5-Bis[3,5-di(quinolin-3-yl)phenyl]phenyl]-1,3-benzothiazole
CID 58479940
2-[2-(3,5-Dipyridin-3-ylphenyl)-3-pyridinyl]-1,3-benzothiazole
CID 58479952

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene?
The IUPAC name of 1-tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene (CID 158807288) is 1-tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene.
What is the SMILES notation for 1-tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene?
The canonical SMILES for 1-tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene is C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc(-c2cccnc2)cc(C(F)(F)F)c1.CC(C)c1cc(F)c(F)c(F)c1.CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(C)(C)C)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(C2CCN(C)CC2)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cncc(-c2ccccc2)c1.CC(C)c1cncc(C(C)(C)C)c1.CC(C)c1cncc(C(F)(F)F)c1.CC(C)c1nc2ccccc2s1.
What is the InChIKey of 1-tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene?
The InChIKey is IUFUFAAPVCMCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N.C15H23N.C15H16.2C14H15N.C13H20.C12H19N.2C10H10F4.C10H11F3.C10H11NS.C10H11N.C9H10F3N.C9H9F3.C9H11F.C9H12.3C8H11N.19C4H10.CH4/c1-10(2)12-6-13(11-4-3-5-19-9-11)8-14(7-12)15(16,17)18;1-12(2)14-5-4-6-15(11-14)13-7-9-16(3)10-8-13;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)13-8-14(10-15-9-13)12-6-4-3-5-7-12;1-10(2)11-7-6-8-12(9-11)13(3,4)5;1-9(2)10-6-11(8-13-7-10)12(3,4)5;1-6(2)7-3-8(10(12,13)14)5-9(11)4-7;1-6(2)7-3-4-9(11)8(5-7)10(12,13)14;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10-5-3-4-9(6-10)7-11;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-5(2)6-3-7(10)9(12)8(11)4-6;1-7(2)8-4-3-5-9(10)6-8;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)8-5-3-4-6-9-8;19*1-4(2)3;/h3-10H,1-2H3;4-6,11-13H,7-10H2,1-3H3;3-12H,1-2H3;2*3-11H,1-2H3;6-10H,1-5H3;6-9H,1-5H3;2*3-6H,1-2H3;3-7H,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;19*4H,1-3H3;1H4.
What are the key properties of 1-tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene?
1-tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene has a molecular weight of 4455.79 g/mol, XLogP of 97.25, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene is sourced from PubChem (CID 158807288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).