2-bromo-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene

C107H130BrCl6F8N3 — CID 158663628

About 2-bromo-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene

2-bromo-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 158663628) has the molecular formula C107H130BrCl6F8N3 and a molecular weight of 1902.84 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: 2-bromo-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene
• PubChem CID: 158663628
• Molecular Formula: C107H130BrCl6F8N3
• Molecular Weight: 1902.84 g/mol
• Exact Mass: 1897.75
• IUPAC Name: 2-bromo-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene
• SMILES: CC(C)c1cc(F)cc(Cl)c1.CC(C)c1ccc(Cl)c(F)c1.CC(C)c1ccc(Cl)cc1F.CC(C)c1ccc(F)c(Br)c1.CC(C)c1ccc(F)cc1Cl.CC(C)c1cccc(Cl)c1Cl.CC(C)c1ccccc1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.Cc1cccc(C(C)C)c1
• InChI: InChI=1S/C10H11F3.C10H14.C9H10BrF.C9H10Cl2.4C9H10ClF.C9H12.3C8H11N/c1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-3-4-9(11)8(10)5-7;1-6(2)7-4-3-5-8(10)9(7)11;1-6(2)7-3-8(10)5-9(11)4-7;1-6(2)8-4-3-7(11)5-9(8)10;1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H3;4-8H,1-3H3;6*3-6H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3
• InChIKey: IDBMBQNWIKXPDB-UHFFFAOYSA-N
• XLogP: 38.61
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1902.84
LogP ≤ 5	38.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene?

The IUPAC name of 2-bromo-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene (CID 158663628) is 2-bromo-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene.

What is the SMILES notation for 2-bromo-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene?

The canonical SMILES for 2-bromo-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene is CC(C)c1cc(F)cc(Cl)c1.CC(C)c1ccc(Cl)c(F)c1.CC(C)c1ccc(Cl)cc1F.CC(C)c1ccc(F)c(Br)c1.CC(C)c1ccc(F)cc1Cl.CC(C)c1cccc(Cl)c1Cl.CC(C)c1ccccc1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.Cc1cccc(C(C)C)c1.

What is the InChIKey of 2-bromo-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene?

The InChIKey is IDBMBQNWIKXPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3.C10H14.C9H10BrF.C9H10Cl2.4C9H10ClF.C9H12.3C8H11N/c1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-3-4-9(11)8(10)5-7;1-6(2)7-4-3-5-8(10)9(7)11;1-6(2)7-3-8(10)5-9(11)4-7;1-6(2)8-4-3-7(11)5-9(8)10;1-6(2)8-4-3-7(10)5-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H3;4-8H,1-3H3;6*3-6H,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3.

What are the key properties of 2-bromo-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene?

2-bromo-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 1902.84 g/mol, XLogP of 38.61, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 158663628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).