2-chloropropane;cumene;2-(difluoromethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-fluoropropane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;1-(2-propan-2-yloxyethyl)piperidine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane

C159H267ClF12N14O12S2 — CID 157323680

About 2-chloropropane;cumene;2-(difluoromethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-fluoropropane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;1-(2-propan-2-yloxyethyl)piperidine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane

2-chloropropane;cumene;2-(difluoromethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-fluoropropane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;1-(2-propan-2-yloxyethyl)piperidine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane (PubChem CID 157323680) has the molecular formula C159H267ClF12N14O12S2 and a molecular weight of 2894.53 g/mol. Its IUPAC name is 2-chloropropane;cumene;2-(difluoromethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-fluoropropane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;1-(2-propan-2-yloxyethyl)piperidine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane.

Molecular Properties

• Compound Name: 2-chloropropane;cumene;2-(difluoromethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-fluoropropane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;1-(2-propan-2-yloxyethyl)piperidine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane
• PubChem CID: 157323680
• Molecular Formula: C159H267ClF12N14O12S2
• Molecular Weight: 2894.53 g/mol
• Exact Mass: 2891.97
• IUPAC Name: 2-chloropropane;cumene;2-(difluoromethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-fluoropropane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;1-(2-propan-2-yloxyethyl)piperidine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);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(C)(F)F.CC(C)OCCN1CCCCC1.CC(C)OCc1ccccc1.CC(C)OCc1ccccc1.CC(C)OCc1ccccn1.CC(C)OCc1ccccn1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccnn1.CC(C)c1cnccn1.CC(C)c1csc(C(C)C)n1.CC(F)COC(C)C.CCOC(C)C.COC(C)C.Cc1ncc(C(C)C)o1
• InChI: InChI=1S/C10H21NO.2C10H14O.C9H16N2S.2C9H13NO.C9H15NS.C9H12.C8H13N.2C8H11N.2C7H10N2.C7H11NO.C6H12F2O.C6H13FO.C5H12O.C4H7F3O.C4H7F3.C4H8F2O.C4H10O.C3H7Cl.C3H7F/c1-10(2)12-9-8-11-6-4-3-5-7-11;2*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;2*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)8-5-4-6-9(8)3;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)9-4-6(3,7)8;1-5(2)8-4-6(3)7;1-4-6-5(2)3;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/h10H,3-9H2,1-2H3;2*3-7,9H,8H2,1-2H3;5-7H,1-4H3,(H,10,11);2*3-6,8H,7H2,1-2H3;5-7H,1-4H3;3-8H,1-2H3;4-7H,1-3H3;2*3-7H,1-2H3;2*3-6H,1-2H3;4-5H,1-3H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3;5H,4H2,1-3H3;3H,1-2H3;3H,1-2H3;3-4H,1-2H3;4H,1-3H3;2*3H,1-2H3
• InChIKey: BELSWXRGRRTWOP-UHFFFAOYSA-N
• XLogP: 47.36
• TPSA: 276.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2894.53
LogP ≤ 5	47.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

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-(difluoromethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-fluoropropane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;1-(2-propan-2-yloxyethyl)piperidine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane?

The IUPAC name of 2-chloropropane;cumene;2-(difluoromethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-fluoropropane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;1-(2-propan-2-yloxyethyl)piperidine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane (CID 157323680) is 2-chloropropane;cumene;2-(difluoromethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-fluoropropane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;1-(2-propan-2-yloxyethyl)piperidine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane.

What is the SMILES notation for 2-chloropropane;cumene;2-(difluoromethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-fluoropropane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;1-(2-propan-2-yloxyethyl)piperidine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane?

The canonical SMILES for 2-chloropropane;cumene;2-(difluoromethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-fluoropropane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;1-(2-propan-2-yloxyethyl)piperidine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);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(C)(F)F.CC(C)OCCN1CCCCC1.CC(C)OCc1ccccc1.CC(C)OCc1ccccc1.CC(C)OCc1ccccn1.CC(C)OCc1ccccn1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccnn1.CC(C)c1cnccn1.CC(C)c1csc(C(C)C)n1.CC(F)COC(C)C.CCOC(C)C.COC(C)C.Cc1ncc(C(C)C)o1.

What is the InChIKey of 2-chloropropane;cumene;2-(difluoromethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-fluoropropane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;1-(2-propan-2-yloxyethyl)piperidine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane?

The InChIKey is BELSWXRGRRTWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.2C10H14O.C9H16N2S.2C9H13NO.C9H15NS.C9H12.C8H13N.2C8H11N.2C7H10N2.C7H11NO.C6H12F2O.C6H13FO.C5H12O.C4H7F3O.C4H7F3.C4H8F2O.C4H10O.C3H7Cl.C3H7F/c1-10(2)12-9-8-11-6-4-3-5-7-11;2*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;2*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)8-5-4-6-9(8)3;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)9-4-6(3,7)8;1-5(2)8-4-6(3)7;1-4-6-5(2)3;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/h10H,3-9H2,1-2H3;2*3-7,9H,8H2,1-2H3;5-7H,1-4H3,(H,10,11);2*3-6,8H,7H2,1-2H3;5-7H,1-4H3;3-8H,1-2H3;4-7H,1-3H3;2*3-7H,1-2H3;2*3-6H,1-2H3;4-5H,1-3H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3;5H,4H2,1-3H3;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-(difluoromethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-fluoropropane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;1-(2-propan-2-yloxyethyl)piperidine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane?

2-chloropropane;cumene;2-(difluoromethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-fluoropropane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;1-(2-propan-2-yloxyethyl)piperidine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane has a molecular weight of 2894.53 g/mol, XLogP of 47.36, 40 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloropropane;cumene;2-(difluoromethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-fluoropropane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;1-(2-propan-2-yloxyethyl)piperidine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);2-(trifluoromethoxy)propane;1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 157323680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).