2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;bis(4-chloro-1-methyl-2-propan-2-ylbenzene);1,2-dichloro-3-propan-2-ylbenzene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-5-propan-2-ylbenzene

C187H256Cl6F4N24O3S5 — CID 159173677

About 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;bis(4-chloro-1-methyl-2-propan-2-ylbenzene);1,2-dichloro-3-propan-2-ylbenzene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-5-propan-2-ylbenzene

2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;bis(4-chloro-1-methyl-2-propan-2-ylbenzene);1,2-dichloro-3-propan-2-ylbenzene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-5-propan-2-ylbenzene (PubChem CID 159173677) has the molecular formula C187H256Cl6F4N24O3S5 and a molecular weight of 3337.31 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;bis(4-chloro-1-methyl-2-propan-2-ylbenzene);1,2-dichloro-3-propan-2-ylbenzene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-5-propan-2-ylbenzene.

Molecular Properties

• Compound Name: 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;bis(4-chloro-1-methyl-2-propan-2-ylbenzene);1,2-dichloro-3-propan-2-ylbenzene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-5-propan-2-ylbenzene
• PubChem CID: 159173677
• Molecular Formula: C187H256Cl6F4N24O3S5
• Molecular Weight: 3337.31 g/mol
• Exact Mass: 3331.73
• IUPAC Name: 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;bis(4-chloro-1-methyl-2-propan-2-ylbenzene);1,2-dichloro-3-propan-2-ylbenzene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-5-propan-2-ylbenzene
• SMILES: CC(C)c1cc(F)c(F)c(F)c1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1cccc(Cl)c1Cl.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.Cc1c(Cl)cccc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(Cl)cc1C(C)C
• InChI: InChI=1S/3C10H13Cl.C9H10Cl2.C9H10ClF.C9H9F3.4C8H11N.6C7H10N2.2C7H10S.C6H10N2.3C6H9NO.3C6H9NS/c2*1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)9-5-4-6-10(11)8(9)3;1-6(2)7-4-3-5-8(10)9(7)11;1-6(2)7-3-4-9(11)8(10)5-7;1-5(2)6-3-7(10)9(12)8(11)4-6;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;2*1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h3*4-7H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3;4*3-7H,1-2H3;6*3-6H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3
• InChIKey: KLZVONASPSKVAY-UHFFFAOYSA-N
• XLogP: 60.15
• TPSA: 351.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3337.31
LogP ≤ 5	60.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;bis(4-chloro-1-methyl-2-propan-2-ylbenzene);1,2-dichloro-3-propan-2-ylbenzene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-5-propan-2-ylbenzene?

The IUPAC name of 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;bis(4-chloro-1-methyl-2-propan-2-ylbenzene);1,2-dichloro-3-propan-2-ylbenzene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-5-propan-2-ylbenzene (CID 159173677) is 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;bis(4-chloro-1-methyl-2-propan-2-ylbenzene);1,2-dichloro-3-propan-2-ylbenzene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-5-propan-2-ylbenzene.

What is the SMILES notation for 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;bis(4-chloro-1-methyl-2-propan-2-ylbenzene);1,2-dichloro-3-propan-2-ylbenzene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-5-propan-2-ylbenzene?

The canonical SMILES for 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;bis(4-chloro-1-methyl-2-propan-2-ylbenzene);1,2-dichloro-3-propan-2-ylbenzene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-5-propan-2-ylbenzene is CC(C)c1cc(F)c(F)c(F)c1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1cccc(Cl)c1Cl.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.Cc1c(Cl)cccc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(Cl)cc1C(C)C.

What is the InChIKey of 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;bis(4-chloro-1-methyl-2-propan-2-ylbenzene);1,2-dichloro-3-propan-2-ylbenzene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-5-propan-2-ylbenzene?

The InChIKey is KLZVONASPSKVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H13Cl.C9H10Cl2.C9H10ClF.C9H9F3.4C8H11N.6C7H10N2.2C7H10S.C6H10N2.3C6H9NO.3C6H9NS/c2*1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)9-5-4-6-10(11)8(9)3;1-6(2)7-4-3-5-8(10)9(7)11;1-6(2)7-3-4-9(11)8(10)5-7;1-5(2)6-3-7(10)9(12)8(11)4-6;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;2*1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h3*4-7H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3;4*3-7H,1-2H3;6*3-6H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3.

What are the key properties of 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;bis(4-chloro-1-methyl-2-propan-2-ylbenzene);1,2-dichloro-3-propan-2-ylbenzene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-5-propan-2-ylbenzene?

2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;bis(4-chloro-1-methyl-2-propan-2-ylbenzene);1,2-dichloro-3-propan-2-ylbenzene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-5-propan-2-ylbenzene has a molecular weight of 3337.31 g/mol, XLogP of 60.15, 25 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;bis(4-chloro-1-methyl-2-propan-2-ylbenzene);1,2-dichloro-3-propan-2-ylbenzene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-5-propan-2-ylbenzene is sourced from PubChem (CID 159173677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).