1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-chloro-4-methyl-2-propan-2-ylbenzene;cumene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;bis(1-fluoro-4-methyl-2-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-3-(trifluoromethoxy)benzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-2-(trifluoromethoxy)benzene

C188H239Cl2F21O3 — CID 165047115

About 1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-chloro-4-methyl-2-propan-2-ylbenzene;cumene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;bis(1-fluoro-4-methyl-2-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-3-(trifluoromethoxy)benzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-2-(trifluoromethoxy)benzene

1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-chloro-4-methyl-2-propan-2-ylbenzene;cumene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;bis(1-fluoro-4-methyl-2-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-3-(trifluoromethoxy)benzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-2-(trifluoromethoxy)benzene (PubChem CID 165047115) has the molecular formula C188H239Cl2F21O3 and a molecular weight of 3016.84 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-chloro-4-methyl-2-propan-2-ylbenzene;cumene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;bis(1-fluoro-4-methyl-2-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-3-(trifluoromethoxy)benzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-2-(trifluoromethoxy)benzene.

Molecular Properties

• Compound Name: 1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-chloro-4-methyl-2-propan-2-ylbenzene;cumene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;bis(1-fluoro-4-methyl-2-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-3-(trifluoromethoxy)benzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-2-(trifluoromethoxy)benzene
• PubChem CID: 165047115
• Molecular Formula: C188H239Cl2F21O3
• Molecular Weight: 3016.84 g/mol
• Exact Mass: 3013.76
• IUPAC Name: 1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-chloro-4-methyl-2-propan-2-ylbenzene;cumene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;bis(1-fluoro-4-methyl-2-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-3-(trifluoromethoxy)benzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-2-(trifluoromethoxy)benzene
• SMILES: CC(C)c1c(F)cccc1OC(F)(F)F.CC(C)c1cc(C(F)(F)F)cc(Cl)c1F.CC(C)c1cc(F)ccc1OC(F)(F)F.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccc1OC(F)(F)F.CCc1ccccc1C(C)C.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(Cl)c(C(C)C)c1.Cc1ccc(F)c(C(C)C)c1.Cc1ccc(F)c(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1
• InChI: InChI=1S/C11H16.C10H9ClF4.C10H13Cl.2C10H10F4O.C10H11F3O.4C10H13F.6C10H14.2C9H11F.C9H12/c1-4-10-7-5-6-8-11(10)9(2)3;1-5(2)7-3-6(10(13,14)15)4-8(11)9(7)12;1-7(2)9-6-8(3)4-5-10(9)11;1-6(2)8-5-7(11)3-4-9(8)15-10(12,13)14;1-6(2)9-7(11)4-3-5-8(9)15-10(12,13)14;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-7(2)9-4-8(3)5-10(11)6-9;2*1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)9-5-4-8(3)6-10(9)11;3*1-8(2)10-6-4-9(3)5-7-10;3*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9/h5-9H,4H2,1-3H3;3-5H,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;4*4-7H,1-3H3;6*4-8H,1-3H3;2*3-7H,1-2H3;3-8H,1-2H3
• InChIKey: PBUJMAOWNDZYPP-UHFFFAOYSA-N
• XLogP: 63.62
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 23
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3016.84
LogP ≤ 5	63.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-chloro-4-methyl-2-propan-2-ylbenzene;cumene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;bis(1-fluoro-4-methyl-2-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-3-(trifluoromethoxy)benzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-2-(trifluoromethoxy)benzene?

The IUPAC name of 1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-chloro-4-methyl-2-propan-2-ylbenzene;cumene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;bis(1-fluoro-4-methyl-2-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-3-(trifluoromethoxy)benzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-2-(trifluoromethoxy)benzene (CID 165047115) is 1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-chloro-4-methyl-2-propan-2-ylbenzene;cumene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;bis(1-fluoro-4-methyl-2-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-3-(trifluoromethoxy)benzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-2-(trifluoromethoxy)benzene.

What is the SMILES notation for 1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-chloro-4-methyl-2-propan-2-ylbenzene;cumene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;bis(1-fluoro-4-methyl-2-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-3-(trifluoromethoxy)benzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-2-(trifluoromethoxy)benzene?

The canonical SMILES for 1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-chloro-4-methyl-2-propan-2-ylbenzene;cumene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;bis(1-fluoro-4-methyl-2-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-3-(trifluoromethoxy)benzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-2-(trifluoromethoxy)benzene is CC(C)c1c(F)cccc1OC(F)(F)F.CC(C)c1cc(C(F)(F)F)cc(Cl)c1F.CC(C)c1cc(F)ccc1OC(F)(F)F.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CC(C)c1ccccc1OC(F)(F)F.CCc1ccccc1C(C)C.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(Cl)c(C(C)C)c1.Cc1ccc(F)c(C(C)C)c1.Cc1ccc(F)c(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.

What is the InChIKey of 1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-chloro-4-methyl-2-propan-2-ylbenzene;cumene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;bis(1-fluoro-4-methyl-2-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-3-(trifluoromethoxy)benzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-2-(trifluoromethoxy)benzene?

The InChIKey is PBUJMAOWNDZYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C10H9ClF4.C10H13Cl.2C10H10F4O.C10H11F3O.4C10H13F.6C10H14.2C9H11F.C9H12/c1-4-10-7-5-6-8-11(10)9(2)3;1-5(2)7-3-6(10(13,14)15)4-8(11)9(7)12;1-7(2)9-6-8(3)4-5-10(9)11;1-6(2)8-5-7(11)3-4-9(8)15-10(12,13)14;1-6(2)9-7(11)4-3-5-8(9)15-10(12,13)14;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-7(2)9-4-8(3)5-10(11)6-9;2*1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)9-5-4-8(3)6-10(9)11;3*1-8(2)10-6-4-9(3)5-7-10;3*1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9/h5-9H,4H2,1-3H3;3-5H,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;4*4-7H,1-3H3;6*4-8H,1-3H3;2*3-7H,1-2H3;3-8H,1-2H3.

What are the key properties of 1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-chloro-4-methyl-2-propan-2-ylbenzene;cumene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;bis(1-fluoro-4-methyl-2-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-3-(trifluoromethoxy)benzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-2-(trifluoromethoxy)benzene?

1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-chloro-4-methyl-2-propan-2-ylbenzene;cumene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;bis(1-fluoro-4-methyl-2-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-3-(trifluoromethoxy)benzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-2-(trifluoromethoxy)benzene has a molecular weight of 3016.84 g/mol, XLogP of 63.62, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-chloro-4-methyl-2-propan-2-ylbenzene;cumene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;bis(1-fluoro-4-methyl-2-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-3-(trifluoromethoxy)benzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 165047115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).