tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine

C213H284Cl5F16N9O2 — CID 158402779

IUPACtert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)C1=CN=CC1.CC(C)(C)c1ccc(Cl)cc1Cl.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1Cl.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ncccn1.COc1ccc(C(C)C)c(C)c1.COc1ccc(C(C)C)cc1.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccccc1C(C)C
InChIInChI=1S/C11H15Cl.C11H13F3.C11H15F.C11H16O.2C11H16.C10H12Cl2.2C10H10ClF3.C10H11F3.C10H14O.2C10H14.C9H10F3N.4C9H13N.C9H12.C8H13N.C8H11N.C7H10N2/c1-8-7-9(12)5-6-10(8)11(2,3)4;1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8(2)11-6-5-10(12-4)7-9(11)3;2*1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-5-4-7(11)6-9(8)12;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-10(2,3)9-7-5-4-6-8-9;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-9(2,3)8-4-6-10-7-5-8;1-7(2)9-5-4-8(3)10-6-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-4-5-9-6-7;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7/h5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;4-6H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;4-8H,1-3H3;2*4-8H,1-3H3;3-6H,1-2H3;4*4-7H,1-3H3;3-8H,1-2H3;5-6H,4H2,1-3H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyGYHQMULZDMJDJI-UHFFFAOYSA-N
MW3483.91 g/mol
LogP69.11
Rot. Bonds14

About tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine

tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 158402779) has the molecular formula C213H284Cl5F16N9O2 and a molecular weight of 3483.91 g/mol. Its IUPAC name is tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nametert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID158402779
Molecular FormulaC213H284Cl5F16N9O2
Molecular Weight3483.91 g/mol
Exact Mass3479.06
IUPAC Nametert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)C1=CN=CC1.CC(C)(C)c1ccc(Cl)cc1Cl.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1Cl.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ncccn1.COc1ccc(C(C)C)c(C)c1.COc1ccc(C(C)C)cc1.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccccc1C(C)C
InChIInChI=1S/C11H15Cl.C11H13F3.C11H15F.C11H16O.2C11H16.C10H12Cl2.2C10H10ClF3.C10H11F3.C10H14O.2C10H14.C9H10F3N.4C9H13N.C9H12.C8H13N.C8H11N.C7H10N2/c1-8-7-9(12)5-6-10(8)11(2,3)4;1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8(2)11-6-5-10(12-4)7-9(11)3;2*1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-5-4-7(11)6-9(8)12;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-10(2,3)9-7-5-4-6-8-9;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-9(2,3)8-4-6-10-7-5-8;1-7(2)9-5-4-8(3)10-6-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-4-5-9-6-7;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7/h5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;4-6H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;4-8H,1-3H3;2*4-8H,1-3H3;3-6H,1-2H3;4*4-7H,1-3H3;3-8H,1-2H3;5-6H,4H2,1-3H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyGYHQMULZDMJDJI-UHFFFAOYSA-N
XLogP69.11
TPSA133.94 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003483.91
LogP ≤ 569.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Related Compounds

[1-[4-[2-[[4-[4-Chloro-2-(trifluoromethyl)phenyl]-2-propoxyphenyl]methoxy]-5-methylphenyl]pyrimidin-2-yl]piperidine-4-carbonyl] 1-[4-[2-[[4-(6-methoxy-3-pyridinyl)-2-methylphenyl]methoxy]-5-methylphenyl]pyrimidin-2-yl]piperidine-4-carboxylate
CID 91543824
2-[3-Chloro-4-[5-[2-(2,4-dichlorophenyl)-1-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl]ethyl]pyrimidin-2-yl]phenyl]-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl]ethanol
CID 144947639
4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 157068955
CID 157190675
CID 157190675
4-[2,5-Bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine
CID 157472919
bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157653688
4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine
CID 157658692
5-Butyl-2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]pyrimidine;2-[3-chloro-4-(4-chlorophenyl)-5-fluorophenyl]-5-propylpyrimidine;2-[4-(4-chloro-3,5-difluorophenyl)-3,5-difluorophenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3-fluoro-4-methylphenyl)phenyl]-5-pentylpyrimidine;2-[3,5-difluoro-4-(4-fluorophenyl)phenyl]-5-hexylpyrimidine;2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-5-ethylpyrimidine;2-[4-(3,5-difluoro-4-methylphenyl)-3,5-difluorophenyl]-5-heptylpyrimidine;2-[4-[3,5-difluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-3,5-difluorophenyl]-5-propylpyrimidine;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-pentylpyrimidine
CID 157669715
5-Butyl-2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pyrimidine;5-butyl-2-[3-fluoro-4-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]pyrimidine;2-[4-(4-chloro-3,5-difluorophenyl)-3-fluorophenyl]-5-propylpyrimidine;2-[4-(4-chlorophenyl)-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[4-(difluoromethoxy)-3-fluorophenyl]-3-fluorophenyl]-5-ethylpyrimidine;2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-hexylpyrimidine;2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine;2-[4-(3,4-difluorophenyl)-3-fluorophenyl]-5-(5-fluoropentyl)pyrimidine;2-[3-fluoro-4-(4-fluorophenyl)phenyl]-5-hexylpyrimidine;2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-pentylpyrimidine
CID 157823436
2-Chloro-4-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-hydroxy-3-propan-2-ylpyridin-1-ium;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157854060
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 157867768
2-(2,4-Dimethylphenyl)pyridine;2-(2,5-dimethylphenyl)pyridine;3-(2,4-dimethylphenyl)pyridine;3-(2,5-dimethylphenyl)pyridine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)pyrimidine;2-fluoro-1,3-dimethyl-4-phenylbenzene;2-(3-fluoro-2,4-dimethylphenyl)pyridine;bis(2-(3-fluoro-2,4-dimethylphenyl)pyrimidine);2-(3-fluoro-5-methylphenyl)-3-methylpyrazine;2-(4-fluoro-2-methylphenyl)pyridine;3-(4-fluoro-2-methylphenyl)pyridine;2-(3-fluoro-2-methylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;methane;2-(4-methoxyphenyl)-3-methylpyrazine;2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazine
CID 157885073

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 158402779) is tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)(C)C1=CN=CC1.CC(C)(C)c1ccc(Cl)cc1Cl.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1Cl.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ncccn1.COc1ccc(C(C)C)c(C)c1.COc1ccc(C(C)C)cc1.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccccc1C(C)C.
What is the InChIKey of tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is GYHQMULZDMJDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl.C11H13F3.C11H15F.C11H16O.2C11H16.C10H12Cl2.2C10H10ClF3.C10H11F3.C10H14O.2C10H14.C9H10F3N.4C9H13N.C9H12.C8H13N.C8H11N.C7H10N2/c1-8-7-9(12)5-6-10(8)11(2,3)4;1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8(2)11-6-5-10(12-4)7-9(11)3;2*1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-5-4-7(11)6-9(8)12;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-10(2,3)9-7-5-4-6-8-9;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-9(2,3)8-4-6-10-7-5-8;1-7(2)9-5-4-8(3)10-6-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-4-5-9-6-7;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7/h5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;4-6H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;4-8H,1-3H3;2*4-8H,1-3H3;3-6H,1-2H3;4*4-7H,1-3H3;3-8H,1-2H3;5-6H,4H2,1-3H3;3-7H,1-2H3;3-6H,1-2H3.
What are the key properties of tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?
tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 3483.91 g/mol, XLogP of 69.11, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 158402779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).