1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole

C217H311F19N10OS3 — CID 158648625

About 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 158648625) has the molecular formula C217H311F19N10OS3 and a molecular weight of 3533.11 g/mol. Its IUPAC name is 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
• PubChem CID: 158648625
• Molecular Formula: C217H311F19N10OS3
• Molecular Weight: 3533.11 g/mol
• Exact Mass: 3530.35
• IUPAC Name: 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
• SMILES: C.C.C.C.C.C.C.C.C.C.CC(C)c1cc(C(F)(F)F)ccn1.CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C(F)(F)F)c1F.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ncc(C(F)(F)F)s1.Cc1cc(C(C)C)ccc1F.Cc1ccc(F)c(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1cncc(C(C)C)c1.Cc1csc(C(C)C)n1.Cc1ncc(C(C)C)s1
• InChI: InChI=1S/C15H16O.C15H22.C15H16.2C14H21N.C14H20.C13H19N.2C10H10F4.2C10H13F.C10H14.2C9H10F3N.2C9H13N.C7H8F3NS.2C7H11NS.10CH4/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;2*1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-6(2)7-3-8(10(12,13)14)5-9(11)4-7;1-6(2)7-4-3-5-8(9(7)11)10(12,13)14;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-6-8(3)4-5-10(9)11;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-6-4-5-8(3)10-9;1-4(2)6-11-3-5(12-6)7(8,9)10;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-6(3)4-9-7;;;;;;;;;;/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;3-12H,1-2H3;2*6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;2*3-6H,1-2H3;2*4-7H,1-3H3;4-8H,1-3H3;2*3-6H,1-2H3;2*4-7H,1-3H3;3-4H,1-2H3;2*4-5H,1-3H3;10*1H4
• InChIKey: IBGVIBPTJXXNID-UHFFFAOYSA-N
• XLogP: 73.26
• TPSA: 109.18 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 27
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3533.11
LogP ≤ 5	73.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole?

The IUPAC name of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole (CID 158648625) is 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole.

What is the SMILES notation for 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole?

The canonical SMILES for 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole is C.C.C.C.C.C.C.C.C.C.CC(C)c1cc(C(F)(F)F)ccn1.CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C(F)(F)F)c1F.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ncc(C(F)(F)F)s1.Cc1cc(C(C)C)ccc1F.Cc1ccc(F)c(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1cncc(C(C)C)c1.Cc1csc(C(C)C)n1.Cc1ncc(C(C)C)s1.

What is the InChIKey of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole?

The InChIKey is IBGVIBPTJXXNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C15H22.C15H16.2C14H21N.C14H20.C13H19N.2C10H10F4.2C10H13F.C10H14.2C9H10F3N.2C9H13N.C7H8F3NS.2C7H11NS.10CH4/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;2*1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-6(2)7-3-8(10(12,13)14)5-9(11)4-7;1-6(2)7-4-3-5-8(9(7)11)10(12,13)14;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-6-8(3)4-5-10(9)11;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-6-4-5-8(3)10-9;1-4(2)6-11-3-5(12-6)7(8,9)10;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-6(3)4-9-7;;;;;;;;;;/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;3-12H,1-2H3;2*6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;2*3-6H,1-2H3;2*4-7H,1-3H3;4-8H,1-3H3;2*3-6H,1-2H3;2*4-7H,1-3H3;3-4H,1-2H3;2*4-5H,1-3H3;10*1H4.

What are the key properties of 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole?

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 3533.11 g/mol, XLogP of 73.26, 27 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 158648625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).