cumene;2-(1,1-difluoroethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-ethoxypropane;2-(1-fluoroethoxy)propane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yloxyethyl)morpholine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);2-(2,2,2-trifluoroethoxy)propane

C160H274F7N13O13S2 — CID 158793576

About cumene;2-(1,1-difluoroethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-ethoxypropane;2-(1-fluoroethoxy)propane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yloxyethyl)morpholine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);2-(2,2,2-trifluoroethoxy)propane

cumene;2-(1,1-difluoroethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-ethoxypropane;2-(1-fluoroethoxy)propane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yloxyethyl)morpholine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);2-(2,2,2-trifluoroethoxy)propane (PubChem CID 158793576) has the molecular formula C160H274F7N13O13S2 and a molecular weight of 2785.15 g/mol. Its IUPAC name is cumene;2-(1,1-difluoroethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-ethoxypropane;2-(1-fluoroethoxy)propane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yloxyethyl)morpholine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);2-(2,2,2-trifluoroethoxy)propane.

Molecular Properties

• Compound Name: cumene;2-(1,1-difluoroethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-ethoxypropane;2-(1-fluoroethoxy)propane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yloxyethyl)morpholine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);2-(2,2,2-trifluoroethoxy)propane
• PubChem CID: 158793576
• Molecular Formula: C160H274F7N13O13S2
• Molecular Weight: 2785.15 g/mol
• Exact Mass: 2783.05
• IUPAC Name: cumene;2-(1,1-difluoroethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-ethoxypropane;2-(1-fluoroethoxy)propane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yloxyethyl)morpholine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);2-(2,2,2-trifluoroethoxy)propane
• SMILES: CC(C)C.CC(C)C.CC(C)C.CC(C)Nc1nc(C(C)C)cs1.CC(C)OC(C)(F)F.CC(C)OC(C)F.CC(C)OCC(F)(F)F.CC(C)OCCN1CCOCC1.CC(C)OCc1ccccc1.CC(C)OCc1ccccc1.CC(C)OCc1ccccn1.CC(C)OCc1ccccn1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cnccn1.CC(F)COC(C)C.CCOC(C)C.COC(C)C.Cc1nc(C(C)C)cs1.Cc1ncc(C(C)C)o1
• InChI: InChI=1S/2C10H14O.C9H16N2S.C9H19NO2.2C9H13NO.C9H12.C8H13N.3C8H11N.C7H10N2.C7H11NO.C7H11NS.C6H13FO.C5H9F3O.C5H10F2O.C5H11FO.C5H12O.C4H10O.3C4H10/c2*1-9(2)11-8-10-6-4-3-5-7-10;1-6(2)8-5-12-9(11-8)10-7(3)4;1-9(2)12-8-5-10-3-6-11-7-4-10;2*1-8(2)11-7-9-5-3-4-6-10-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-4-6-9(8)3;3*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)8-4-6(3)7;1-4(2)9-3-5(6,7)8;1-4(2)8-5(3,6)7;1-4(2)7-5(3)6;1-4-6-5(2)3;1-4(2)5-3;3*1-4(2)3/h2*3-7,9H,8H2,1-2H3;5-7H,1-4H3,(H,10,11);9H,3-8H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-8H,1-2H3;4-7H,1-3H3;3*3-7H,1-2H3;3-6H,1-2H3;2*4-5H,1-3H3;5-6H,4H2,1-3H3;4H,3H2,1-2H3;4H,1-3H3;4-5H,1-3H3;5H,4H2,1-3H3;4H,1-3H3;3*4H,1-3H3
• InChIKey: ISOUMLWBQWOFCR-UHFFFAOYSA-N
• XLogP: 45.88
• TPSA: 273.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 39
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2785.15
LogP ≤ 5	45.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of cumene;2-(1,1-difluoroethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-ethoxypropane;2-(1-fluoroethoxy)propane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yloxyethyl)morpholine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);2-(2,2,2-trifluoroethoxy)propane?

The IUPAC name of cumene;2-(1,1-difluoroethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-ethoxypropane;2-(1-fluoroethoxy)propane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yloxyethyl)morpholine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);2-(2,2,2-trifluoroethoxy)propane (CID 158793576) is cumene;2-(1,1-difluoroethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-ethoxypropane;2-(1-fluoroethoxy)propane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yloxyethyl)morpholine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);2-(2,2,2-trifluoroethoxy)propane.

What is the SMILES notation for cumene;2-(1,1-difluoroethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-ethoxypropane;2-(1-fluoroethoxy)propane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yloxyethyl)morpholine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);2-(2,2,2-trifluoroethoxy)propane?

The canonical SMILES for cumene;2-(1,1-difluoroethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-ethoxypropane;2-(1-fluoroethoxy)propane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yloxyethyl)morpholine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);2-(2,2,2-trifluoroethoxy)propane is CC(C)C.CC(C)C.CC(C)C.CC(C)Nc1nc(C(C)C)cs1.CC(C)OC(C)(F)F.CC(C)OC(C)F.CC(C)OCC(F)(F)F.CC(C)OCCN1CCOCC1.CC(C)OCc1ccccc1.CC(C)OCc1ccccc1.CC(C)OCc1ccccn1.CC(C)OCc1ccccn1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cnccn1.CC(F)COC(C)C.CCOC(C)C.COC(C)C.Cc1nc(C(C)C)cs1.Cc1ncc(C(C)C)o1.

What is the InChIKey of cumene;2-(1,1-difluoroethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-ethoxypropane;2-(1-fluoroethoxy)propane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yloxyethyl)morpholine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);2-(2,2,2-trifluoroethoxy)propane?

The InChIKey is ISOUMLWBQWOFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14O.C9H16N2S.C9H19NO2.2C9H13NO.C9H12.C8H13N.3C8H11N.C7H10N2.C7H11NO.C7H11NS.C6H13FO.C5H9F3O.C5H10F2O.C5H11FO.C5H12O.C4H10O.3C4H10/c2*1-9(2)11-8-10-6-4-3-5-7-10;1-6(2)8-5-12-9(11-8)10-7(3)4;1-9(2)12-8-5-10-3-6-11-7-4-10;2*1-8(2)11-7-9-5-3-4-6-10-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-4-6-9(8)3;3*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)8-4-6(3)7;1-4(2)9-3-5(6,7)8;1-4(2)8-5(3,6)7;1-4(2)7-5(3)6;1-4-6-5(2)3;1-4(2)5-3;3*1-4(2)3/h2*3-7,9H,8H2,1-2H3;5-7H,1-4H3,(H,10,11);9H,3-8H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-8H,1-2H3;4-7H,1-3H3;3*3-7H,1-2H3;3-6H,1-2H3;2*4-5H,1-3H3;5-6H,4H2,1-3H3;4H,3H2,1-2H3;4H,1-3H3;4-5H,1-3H3;5H,4H2,1-3H3;4H,1-3H3;3*4H,1-3H3.

What are the key properties of cumene;2-(1,1-difluoroethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-ethoxypropane;2-(1-fluoroethoxy)propane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yloxyethyl)morpholine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);2-(2,2,2-trifluoroethoxy)propane?

cumene;2-(1,1-difluoroethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-ethoxypropane;2-(1-fluoroethoxy)propane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yloxyethyl)morpholine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);2-(2,2,2-trifluoroethoxy)propane has a molecular weight of 2785.15 g/mol, XLogP of 45.88, 39 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;2-(1,1-difluoroethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-ethoxypropane;2-(1-fluoroethoxy)propane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yloxyethyl)morpholine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);2-(2,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 158793576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).