cumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine

C193H288F18N30O12S6 — CID 167665522

IUPACcumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
SMILESCC(C)C#CC(C)(C)S(C)(=O)=O.CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(F)cc1F.CC(C)c1ccccc1.CC(C)c1ccn(CC(C)(F)F)n1.CC(C)c1cnc(C(C)(C)O)s1.CC(C)c1cnc(C(C)(F)F)s1.CC(C)c1cnccn1.CC(C)c1csc(C(C)(C)O)n1.CC(C)c1csc(S(C)(=O)=O)n1.CC(C)c1ncc(F)cn1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1nccc(C(F)F)n1.CC(C)c1ncccn1.CCOc1ccc(C(C)C)cn1.CCOc1cnc(C(C)C)nc1.CCc1cnc(C(C)C)nc1.COC(C)(C)C#CC(C)C.COC(C)(C)CCC(C)C.COc1cnc(C(C)C)cn1.COc1cncc(C(C)C)n1.Cc1ccnc(C(C)C)n1
InChIInChI=1S/C10H15NO.C9H10F3N.C9H14F2N2.C9H10F2.C9H14N2O.C9H14N2.2C9H15NOS.C9H16O2S.C9H20O.C9H16O.C9H12.C8H11F3N2.C8H9F3N2.C8H10F2N2.C8H11F2NS.2C8H12N2O.C8H12N2.C7H9FN2.2C7H10N2.C7H11NO2S2/c1-4-12-10-6-5-9(7-11-10)8(2)3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-4-5-13(12-8)6-9(3,10)11;1-6(2)8-4-3-7(10)5-9(8)11;1-4-12-8-5-10-9(7(2)3)11-6-8;1-4-8-5-10-9(7(2)3)11-6-8;1-6(2)7-5-12-8(10-7)9(3,4)11;1-6(2)7-5-10-8(12-7)9(3,4)11;1-8(2)6-7-9(3,4)12(5,10)11;2*1-8(2)6-7-9(3,4)10-5;1-8(2)9-6-4-3-5-7-9;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-5(2)8-11-4-3-6(12-8)7(9)10;1-5(2)6-4-11-7(12-6)8(3,9)10;1-6(2)7-4-10-8(11-3)5-9-7;1-6(2)7-4-9-5-8(10-7)11-3;1-6(2)8-9-5-4-7(3)10-8;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-4-11-7(8-6)12(3,9)10/h5-8H,4H2,1-3H3;3-6H,1-2H3;4-5,7H,6H2,1-3H3;3-6H,1-2H3;5-7H,4H2,1-3H3;5-7H,4H2,1-3H3;2*5-6,11H,1-4H3;8H,1-5H3;8H,6-7H2,1-5H3;8H,1-5H3;3-8H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;3-5,7H,1-2H3;4-5H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3;3-5H,1-2H3;2*3-6H,1-2H3;4-5H,1-3H3
InChIKeySOTJSUJSFXOLLU-UHFFFAOYSA-N
MW3754.99 g/mol
LogP52.76
Rot. Bonds40

About cumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine

cumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine (PubChem CID 167665522) has the molecular formula C193H288F18N30O12S6 and a molecular weight of 3754.99 g/mol. Its IUPAC name is cumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Namecumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
PubChem CID167665522
Molecular FormulaC193H288F18N30O12S6
Molecular Weight3754.99 g/mol
Exact Mass3752.09
IUPAC Namecumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
SMILESCC(C)C#CC(C)(C)S(C)(=O)=O.CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(F)cc1F.CC(C)c1ccccc1.CC(C)c1ccn(CC(C)(F)F)n1.CC(C)c1cnc(C(C)(C)O)s1.CC(C)c1cnc(C(C)(F)F)s1.CC(C)c1cnccn1.CC(C)c1csc(C(C)(C)O)n1.CC(C)c1csc(S(C)(=O)=O)n1.CC(C)c1ncc(F)cn1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1nccc(C(F)F)n1.CC(C)c1ncccn1.CCOc1ccc(C(C)C)cn1.CCOc1cnc(C(C)C)nc1.CCc1cnc(C(C)C)nc1.COC(C)(C)C#CC(C)C.COC(C)(C)CCC(C)C.COc1cnc(C(C)C)cn1.COc1cncc(C(C)C)n1.Cc1ccnc(C(C)C)n1
InChIInChI=1S/C10H15NO.C9H10F3N.C9H14F2N2.C9H10F2.C9H14N2O.C9H14N2.2C9H15NOS.C9H16O2S.C9H20O.C9H16O.C9H12.C8H11F3N2.C8H9F3N2.C8H10F2N2.C8H11F2NS.2C8H12N2O.C8H12N2.C7H9FN2.2C7H10N2.C7H11NO2S2/c1-4-12-10-6-5-9(7-11-10)8(2)3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-4-5-13(12-8)6-9(3,10)11;1-6(2)8-4-3-7(10)5-9(8)11;1-4-12-8-5-10-9(7(2)3)11-6-8;1-4-8-5-10-9(7(2)3)11-6-8;1-6(2)7-5-12-8(10-7)9(3,4)11;1-6(2)7-5-10-8(12-7)9(3,4)11;1-8(2)6-7-9(3,4)12(5,10)11;2*1-8(2)6-7-9(3,4)10-5;1-8(2)9-6-4-3-5-7-9;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-5(2)8-11-4-3-6(12-8)7(9)10;1-5(2)6-4-11-7(12-6)8(3,9)10;1-6(2)7-4-10-8(11-3)5-9-7;1-6(2)7-4-9-5-8(10-7)11-3;1-6(2)8-9-5-4-7(3)10-8;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-4-11-7(8-6)12(3,9)10/h5-8H,4H2,1-3H3;3-6H,1-2H3;4-5,7H,6H2,1-3H3;3-6H,1-2H3;5-7H,4H2,1-3H3;5-7H,4H2,1-3H3;2*5-6,11H,1-4H3;8H,1-5H3;8H,6-7H2,1-5H3;8H,1-5H3;3-8H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;3-5,7H,1-2H3;4-5H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3;3-5H,1-2H3;2*3-6H,1-2H3;4-5H,1-3H3
InChIKeySOTJSUJSFXOLLU-UHFFFAOYSA-N
XLogP52.76
TPSA534.90 Ų
H-Bond Donors2
H-Bond Acceptors46
Rotatable Bonds40
Heavy Atoms259
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003754.99
LogP ≤ 552.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze cumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of cumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine (CID 167665522) is cumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for cumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for cumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine is CC(C)C#CC(C)(C)S(C)(=O)=O.CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(F)cc1F.CC(C)c1ccccc1.CC(C)c1ccn(CC(C)(F)F)n1.CC(C)c1cnc(C(C)(C)O)s1.CC(C)c1cnc(C(C)(F)F)s1.CC(C)c1cnccn1.CC(C)c1csc(C(C)(C)O)n1.CC(C)c1csc(S(C)(=O)=O)n1.CC(C)c1ncc(F)cn1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1nccc(C(F)F)n1.CC(C)c1ncccn1.CCOc1ccc(C(C)C)cn1.CCOc1cnc(C(C)C)nc1.CCc1cnc(C(C)C)nc1.COC(C)(C)C#CC(C)C.COC(C)(C)CCC(C)C.COc1cnc(C(C)C)cn1.COc1cncc(C(C)C)n1.Cc1ccnc(C(C)C)n1.
What is the InChIKey of cumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?
The InChIKey is SOTJSUJSFXOLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C9H10F3N.C9H14F2N2.C9H10F2.C9H14N2O.C9H14N2.2C9H15NOS.C9H16O2S.C9H20O.C9H16O.C9H12.C8H11F3N2.C8H9F3N2.C8H10F2N2.C8H11F2NS.2C8H12N2O.C8H12N2.C7H9FN2.2C7H10N2.C7H11NO2S2/c1-4-12-10-6-5-9(7-11-10)8(2)3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-4-5-13(12-8)6-9(3,10)11;1-6(2)8-4-3-7(10)5-9(8)11;1-4-12-8-5-10-9(7(2)3)11-6-8;1-4-8-5-10-9(7(2)3)11-6-8;1-6(2)7-5-12-8(10-7)9(3,4)11;1-6(2)7-5-10-8(12-7)9(3,4)11;1-8(2)6-7-9(3,4)12(5,10)11;2*1-8(2)6-7-9(3,4)10-5;1-8(2)9-6-4-3-5-7-9;1-5(2)6-4-7(8(9,10)11)12-13(6)3;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-5(2)8-11-4-3-6(12-8)7(9)10;1-5(2)6-4-11-7(12-6)8(3,9)10;1-6(2)7-4-10-8(11-3)5-9-7;1-6(2)7-4-9-5-8(10-7)11-3;1-6(2)8-9-5-4-7(3)10-8;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-4-11-7(8-6)12(3,9)10/h5-8H,4H2,1-3H3;3-6H,1-2H3;4-5,7H,6H2,1-3H3;3-6H,1-2H3;5-7H,4H2,1-3H3;5-7H,4H2,1-3H3;2*5-6,11H,1-4H3;8H,1-5H3;8H,6-7H2,1-5H3;8H,1-5H3;3-8H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;3-5,7H,1-2H3;4-5H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3;3-5H,1-2H3;2*3-6H,1-2H3;4-5H,1-3H3.
What are the key properties of cumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?
cumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine has a molecular weight of 3754.99 g/mol, XLogP of 52.76, 40 rotatable bonds, 2 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 167665522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).