2-chloropropane;cumene;2-(2,2-difluoroethoxy)propane;2-(difluoromethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-fluoropropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;4-(2-propan-2-yloxyethyl)morpholine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;1-propan-2-yloxypropane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-(2,2,2-trifluoroethoxy)propane;2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane

C153H257ClF14N18O13S2 — CID 159048741

About 2-chloropropane;cumene;2-(2,2-difluoroethoxy)propane;2-(difluoromethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-fluoropropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;4-(2-propan-2-yloxyethyl)morpholine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;1-propan-2-yloxypropane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-(2,2,2-trifluoroethoxy)propane;2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane

2-chloropropane;cumene;2-(2,2-difluoroethoxy)propane;2-(difluoromethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-fluoropropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;4-(2-propan-2-yloxyethyl)morpholine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;1-propan-2-yloxypropane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-(2,2,2-trifluoroethoxy)propane;2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane (PubChem CID 159048741) has the molecular formula C153H257ClF14N18O13S2 and a molecular weight of 2922.41 g/mol. Its IUPAC name is 2-chloropropane;cumene;2-(2,2-difluoroethoxy)propane;2-(difluoromethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-fluoropropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;4-(2-propan-2-yloxyethyl)morpholine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;1-propan-2-yloxypropane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-(2,2,2-trifluoroethoxy)propane;2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane.

Molecular Properties

• Compound Name: 2-chloropropane;cumene;2-(2,2-difluoroethoxy)propane;2-(difluoromethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-fluoropropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;4-(2-propan-2-yloxyethyl)morpholine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;1-propan-2-yloxypropane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-(2,2,2-trifluoroethoxy)propane;2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane
• PubChem CID: 159048741
• Molecular Formula: C153H257ClF14N18O13S2
• Molecular Weight: 2922.41 g/mol
• Exact Mass: 2919.89
• IUPAC Name: 2-chloropropane;cumene;2-(2,2-difluoroethoxy)propane;2-(difluoromethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-fluoropropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;4-(2-propan-2-yloxyethyl)morpholine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;1-propan-2-yloxypropane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-(2,2,2-trifluoroethoxy)propane;2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane
• SMILES: CC(C)C(F)(F)F.CC(C)Cl.CC(C)F.CC(C)Nc1nc(C(C)C)cs1.CC(C)OC(F)(F)F.CC(C)OC(F)F.CC(C)OCC(F)(F)F.CC(C)OCC(F)F.CC(C)OCCN1CCOCC1.CC(C)OCc1ccccc1.CC(C)OCc1ccccn1.CC(C)OCc1cccnc1.CC(C)OCc1cnccn1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1cnccn1.CC(C)c1csc(C(C)C)n1.CCCOC(C)C.COC(C)C.Cc1ncc(C(C)C)o1
• InChI: InChI=1S/C10H14O.C9H16N2S.C9H19NO2.2C9H13NO.C9H15NS.C9H12.C8H12N2O.C8H11N.C7H12N2.3C7H10N2.C7H11NO.C6H14O.C5H9F3O.C5H10F2O.C4H7F3O.C4H7F3.C4H8F2O.C4H10O.C3H7Cl.C3H7F/c1-9(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;1-8(2)11-7-9-4-3-5-10-6-9;1-8(2)11-7-9-5-3-4-6-10-9;1-6(2)8-5-11-9(10-8)7(3)4;1-8(2)9-6-4-3-5-7-9;1-7(2)11-6-8-5-9-3-4-10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)7-4-8-6(3)9-7;1-4-5-7-6(2)3;1-4(2)9-3-5(6,7)8;1-4(2)8-3-5(6)7;1-3(2)8-4(5,6)7;1-3(2)4(5,6)7;1-3(2)7-4(5)6;1-4(2)5-3;2*1-3(2)4/h3-7,9H,8H2,1-2H3;5-7H,1-4H3,(H,10,11);9H,3-8H2,1-2H3;2*3-6,8H,7H2,1-2H3;5-7H,1-4H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3*3-6H,1-2H3;4-5H,1-3H3;6H,4-5H2,1-3H3;4H,3H2,1-2H3;4-5H,3H2,1-2H3;3H,1-2H3;3H,1-2H3;3-4H,1-2H3;4H,1-3H3;2*3H,1-2H3
• InChIKey: JWZLCTUALSJEPD-UHFFFAOYSA-N
• XLogP: 43.99
• TPSA: 337.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 40
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2922.41
LogP ≤ 5	43.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloropropane;cumene;2-(2,2-difluoroethoxy)propane;2-(difluoromethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-fluoropropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;4-(2-propan-2-yloxyethyl)morpholine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;1-propan-2-yloxypropane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-(2,2,2-trifluoroethoxy)propane;2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane?

The IUPAC name of 2-chloropropane;cumene;2-(2,2-difluoroethoxy)propane;2-(difluoromethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-fluoropropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;4-(2-propan-2-yloxyethyl)morpholine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;1-propan-2-yloxypropane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-(2,2,2-trifluoroethoxy)propane;2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane (CID 159048741) is 2-chloropropane;cumene;2-(2,2-difluoroethoxy)propane;2-(difluoromethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-fluoropropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;4-(2-propan-2-yloxyethyl)morpholine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;1-propan-2-yloxypropane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-(2,2,2-trifluoroethoxy)propane;2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane.

What is the SMILES notation for 2-chloropropane;cumene;2-(2,2-difluoroethoxy)propane;2-(difluoromethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-fluoropropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;4-(2-propan-2-yloxyethyl)morpholine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;1-propan-2-yloxypropane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-(2,2,2-trifluoroethoxy)propane;2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane?

The canonical SMILES for 2-chloropropane;cumene;2-(2,2-difluoroethoxy)propane;2-(difluoromethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-fluoropropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;4-(2-propan-2-yloxyethyl)morpholine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;1-propan-2-yloxypropane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-(2,2,2-trifluoroethoxy)propane;2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane is CC(C)C(F)(F)F.CC(C)Cl.CC(C)F.CC(C)Nc1nc(C(C)C)cs1.CC(C)OC(F)(F)F.CC(C)OC(F)F.CC(C)OCC(F)(F)F.CC(C)OCC(F)F.CC(C)OCCN1CCOCC1.CC(C)OCc1ccccc1.CC(C)OCc1ccccn1.CC(C)OCc1cccnc1.CC(C)OCc1cnccn1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1cnccn1.CC(C)c1csc(C(C)C)n1.CCCOC(C)C.COC(C)C.Cc1ncc(C(C)C)o1.

What is the InChIKey of 2-chloropropane;cumene;2-(2,2-difluoroethoxy)propane;2-(difluoromethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-fluoropropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;4-(2-propan-2-yloxyethyl)morpholine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;1-propan-2-yloxypropane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-(2,2,2-trifluoroethoxy)propane;2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane?

The InChIKey is JWZLCTUALSJEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C9H16N2S.C9H19NO2.2C9H13NO.C9H15NS.C9H12.C8H12N2O.C8H11N.C7H12N2.3C7H10N2.C7H11NO.C6H14O.C5H9F3O.C5H10F2O.C4H7F3O.C4H7F3.C4H8F2O.C4H10O.C3H7Cl.C3H7F/c1-9(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;1-8(2)11-7-9-4-3-5-10-6-9;1-8(2)11-7-9-5-3-4-6-10-9;1-6(2)8-5-11-9(10-8)7(3)4;1-8(2)9-6-4-3-5-7-9;1-7(2)11-6-8-5-9-3-4-10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)7-4-8-6(3)9-7;1-4-5-7-6(2)3;1-4(2)9-3-5(6,7)8;1-4(2)8-3-5(6)7;1-3(2)8-4(5,6)7;1-3(2)4(5,6)7;1-3(2)7-4(5)6;1-4(2)5-3;2*1-3(2)4/h3-7,9H,8H2,1-2H3;5-7H,1-4H3,(H,10,11);9H,3-8H2,1-2H3;2*3-6,8H,7H2,1-2H3;5-7H,1-4H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3*3-6H,1-2H3;4-5H,1-3H3;6H,4-5H2,1-3H3;4H,3H2,1-2H3;4-5H,3H2,1-2H3;3H,1-2H3;3H,1-2H3;3-4H,1-2H3;4H,1-3H3;2*3H,1-2H3.

What are the key properties of 2-chloropropane;cumene;2-(2,2-difluoroethoxy)propane;2-(difluoromethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-fluoropropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;4-(2-propan-2-yloxyethyl)morpholine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;1-propan-2-yloxypropane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-(2,2,2-trifluoroethoxy)propane;2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane?

2-chloropropane;cumene;2-(2,2-difluoroethoxy)propane;2-(difluoromethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-fluoropropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;4-(2-propan-2-yloxyethyl)morpholine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;1-propan-2-yloxypropane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-(2,2,2-trifluoroethoxy)propane;2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane has a molecular weight of 2922.41 g/mol, XLogP of 43.99, 40 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloropropane;cumene;2-(2,2-difluoroethoxy)propane;2-(difluoromethoxy)propane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-fluoropropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;4-(2-propan-2-yloxyethyl)morpholine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;1-propan-2-yloxypropane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-(2,2,2-trifluoroethoxy)propane;2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 159048741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).