1-tert-butyl-4-propan-2-ylbenzene;bis(1-chloro-4-propan-2-ylbenzene);5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;cumene;3-cyclohexyl-1-propan-2-ylpyrazole;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1-fluoro-4-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene

C189H255Cl4F26N11O4S4 — CID 157279556

IUPAC1-tert-butyl-4-propan-2-ylbenzene;bis(1-chloro-4-propan-2-ylbenzene);5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;cumene;3-cyclohexyl-1-propan-2-ylpyrazole;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1-fluoro-4-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESCC(C)C1=CCN(C(C)C)CC1.CC(C)C1=CCN(C(C)C)CC1F.CC(C)C1=CCN(C(C)C)CC1O.CC(C)c1cc2cc(Cl)ccc2o1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)o1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccc1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)c1csc(C(F)(F)F)n1.CC(C)n1cc2ccccc2n1.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc(C2CCCCC2)n1
InChIInChI=1S/C13H20.C12H20N2.C11H11ClO.C11H20FN.C11H21NO.C11H21N.C10H11F3O.2C10H11F3.C10H12N2.2C9H11Cl.C9H11F.C9H12.C8H9F3O.C8H9F3S.C7H9ClS.C7H9F3N2.2C7H8F3NS/c1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-10(2)14-9-8-12(13-14)11-6-4-3-5-7-11;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;1-8(2)10-5-6-13(9(3)4)7-11(10)12;1-8(2)10-5-6-12(9(3)4)7-11(10)13;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-3-5-9(6-4-8)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;1-8(2)12-7-9-5-3-4-6-10(9)11-12;3*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;2*1-5(2)6-3-4-7(12-6)8(9,10)11;1-5(2)6-3-4-7(8)9-6;1-5(2)12-4-3-6(11-12)7(8,9)10;1-4(2)5-3-12-6(11-5)7(8,9)10;1-4(2)5-3-11-6(12-5)7(8,9)10/h6-10H,1-5H3;8-11H,3-7H2,1-2H3;3-7H,1-2H3;5,8-9,11H,6-7H2,1-4H3;5,8-9,11,13H,6-7H2,1-4H3;5,9-10H,6-8H2,1-4H3;3-7H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-8H,1-2H3;2*3-5H,1-2H3;3-5H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3
InChIKeyAZMQZGUHVDDEMS-UHFFFAOYSA-N
MW3509.22 g/mol
LogP65.36
Rot. Bonds25

About 1-tert-butyl-4-propan-2-ylbenzene;bis(1-chloro-4-propan-2-ylbenzene);5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;cumene;3-cyclohexyl-1-propan-2-ylpyrazole;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1-fluoro-4-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene

1-tert-butyl-4-propan-2-ylbenzene;bis(1-chloro-4-propan-2-ylbenzene);5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;cumene;3-cyclohexyl-1-propan-2-ylpyrazole;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1-fluoro-4-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene (PubChem CID 157279556) has the molecular formula C189H255Cl4F26N11O4S4 and a molecular weight of 3509.22 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylbenzene;bis(1-chloro-4-propan-2-ylbenzene);5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;cumene;3-cyclohexyl-1-propan-2-ylpyrazole;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1-fluoro-4-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylbenzene;bis(1-chloro-4-propan-2-ylbenzene);5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;cumene;3-cyclohexyl-1-propan-2-ylpyrazole;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1-fluoro-4-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
PubChem CID157279556
Molecular FormulaC189H255Cl4F26N11O4S4
Molecular Weight3509.22 g/mol
Exact Mass3504.73
IUPAC Name1-tert-butyl-4-propan-2-ylbenzene;bis(1-chloro-4-propan-2-ylbenzene);5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;cumene;3-cyclohexyl-1-propan-2-ylpyrazole;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1-fluoro-4-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESCC(C)C1=CCN(C(C)C)CC1.CC(C)C1=CCN(C(C)C)CC1F.CC(C)C1=CCN(C(C)C)CC1O.CC(C)c1cc2cc(Cl)ccc2o1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)o1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccc1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)c1csc(C(F)(F)F)n1.CC(C)n1cc2ccccc2n1.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc(C2CCCCC2)n1
InChIInChI=1S/C13H20.C12H20N2.C11H11ClO.C11H20FN.C11H21NO.C11H21N.C10H11F3O.2C10H11F3.C10H12N2.2C9H11Cl.C9H11F.C9H12.C8H9F3O.C8H9F3S.C7H9ClS.C7H9F3N2.2C7H8F3NS/c1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-10(2)14-9-8-12(13-14)11-6-4-3-5-7-11;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;1-8(2)10-5-6-13(9(3)4)7-11(10)12;1-8(2)10-5-6-12(9(3)4)7-11(10)13;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-3-5-9(6-4-8)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;1-8(2)12-7-9-5-3-4-6-10(9)11-12;3*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;2*1-5(2)6-3-4-7(12-6)8(9,10)11;1-5(2)6-3-4-7(8)9-6;1-5(2)12-4-3-6(11-12)7(8,9)10;1-4(2)5-3-12-6(11-5)7(8,9)10;1-4(2)5-3-11-6(12-5)7(8,9)10/h6-10H,1-5H3;8-11H,3-7H2,1-2H3;3-7H,1-2H3;5,8-9,11H,6-7H2,1-4H3;5,8-9,11,13H,6-7H2,1-4H3;5,9-10H,6-8H2,1-4H3;3-7H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-8H,1-2H3;2*3-5H,1-2H3;3-5H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3
InChIKeyAZMQZGUHVDDEMS-UHFFFAOYSA-N
XLogP65.36
TPSA144.70 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms238
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003509.22
LogP ≤ 565.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-tert-butyl-4-propan-2-ylbenzene;bis(1-chloro-4-propan-2-ylbenzene);5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;cumene;3-cyclohexyl-1-propan-2-ylpyrazole;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1-fluoro-4-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;bis(1-chloro-4-propan-2-ylbenzene);5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;cumene;3-cyclohexyl-1-propan-2-ylpyrazole;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1-fluoro-4-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;bis(1-chloro-4-propan-2-ylbenzene);5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;cumene;3-cyclohexyl-1-propan-2-ylpyrazole;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1-fluoro-4-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene (CID 157279556) is 1-tert-butyl-4-propan-2-ylbenzene;bis(1-chloro-4-propan-2-ylbenzene);5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;cumene;3-cyclohexyl-1-propan-2-ylpyrazole;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1-fluoro-4-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylbenzene;bis(1-chloro-4-propan-2-ylbenzene);5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;cumene;3-cyclohexyl-1-propan-2-ylpyrazole;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1-fluoro-4-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylbenzene;bis(1-chloro-4-propan-2-ylbenzene);5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;cumene;3-cyclohexyl-1-propan-2-ylpyrazole;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1-fluoro-4-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene is CC(C)C1=CCN(C(C)C)CC1.CC(C)C1=CCN(C(C)C)CC1F.CC(C)C1=CCN(C(C)C)CC1O.CC(C)c1cc2cc(Cl)ccc2o1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)o1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccc1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)c1csc(C(F)(F)F)n1.CC(C)n1cc2ccccc2n1.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc(C2CCCCC2)n1.
What is the InChIKey of 1-tert-butyl-4-propan-2-ylbenzene;bis(1-chloro-4-propan-2-ylbenzene);5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;cumene;3-cyclohexyl-1-propan-2-ylpyrazole;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1-fluoro-4-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The InChIKey is AZMQZGUHVDDEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C12H20N2.C11H11ClO.C11H20FN.C11H21NO.C11H21N.C10H11F3O.2C10H11F3.C10H12N2.2C9H11Cl.C9H11F.C9H12.C8H9F3O.C8H9F3S.C7H9ClS.C7H9F3N2.2C7H8F3NS/c1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-10(2)14-9-8-12(13-14)11-6-4-3-5-7-11;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;1-8(2)10-5-6-13(9(3)4)7-11(10)12;1-8(2)10-5-6-12(9(3)4)7-11(10)13;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-3-5-9(6-4-8)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;1-8(2)12-7-9-5-3-4-6-10(9)11-12;3*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;2*1-5(2)6-3-4-7(12-6)8(9,10)11;1-5(2)6-3-4-7(8)9-6;1-5(2)12-4-3-6(11-12)7(8,9)10;1-4(2)5-3-12-6(11-5)7(8,9)10;1-4(2)5-3-11-6(12-5)7(8,9)10/h6-10H,1-5H3;8-11H,3-7H2,1-2H3;3-7H,1-2H3;5,8-9,11H,6-7H2,1-4H3;5,8-9,11,13H,6-7H2,1-4H3;5,9-10H,6-8H2,1-4H3;3-7H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-8H,1-2H3;2*3-5H,1-2H3;3-5H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3.
What are the key properties of 1-tert-butyl-4-propan-2-ylbenzene;bis(1-chloro-4-propan-2-ylbenzene);5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;cumene;3-cyclohexyl-1-propan-2-ylpyrazole;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1-fluoro-4-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
1-tert-butyl-4-propan-2-ylbenzene;bis(1-chloro-4-propan-2-ylbenzene);5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;cumene;3-cyclohexyl-1-propan-2-ylpyrazole;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1-fluoro-4-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene has a molecular weight of 3509.22 g/mol, XLogP of 65.36, 25 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylbenzene;bis(1-chloro-4-propan-2-ylbenzene);5-chloro-2-propan-2-yl-1-benzofuran;2-chloro-5-propan-2-ylthiophene;cumene;3-cyclohexyl-1-propan-2-ylpyrazole;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1-fluoro-4-propan-2-ylbenzene;2-propan-2-ylindazole;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)furan;1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 157279556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).