1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethylsulfanyl)benzene;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene

C67H73F27O3S2Si — CID 157220382

About 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethylsulfanyl)benzene;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene

1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethylsulfanyl)benzene;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene (PubChem CID 157220382) has the molecular formula C67H73F27O3S2Si and a molecular weight of 1531.48 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethylsulfanyl)benzene;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

• Compound Name: 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethylsulfanyl)benzene;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene
• PubChem CID: 157220382
• Molecular Formula: C67H73F27O3S2Si
• Molecular Weight: 1531.48 g/mol
• Exact Mass: 1530.43
• IUPAC Name: 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethylsulfanyl)benzene;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene
• SMILES: CC(C)c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1.CC(C)c1ccc(SC(F)(F)F)cc1.CC(C)c1ccc([Si](C)(C(F)(F)F)C(F)(F)F)cc1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1cccc(SC(F)(F)F)c1.Cc1cc(C(C)C)cc(OC(F)(F)F)c1OC(F)(F)F
• InChI: InChI=1S/C13H14F6.C12H12F6O2.C12H14F6Si.C10H11F3O.2C10H11F3S/c1-8(2)9-4-6-10(7-5-9)11(3,12(14,15)16)13(17,18)19;1-6(2)8-4-7(3)10(20-12(16,17)18)9(5-8)19-11(13,14)15;1-8(2)9-4-6-10(7-5-9)19(3,11(13,14)15)12(16,17)18;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13/h4-8H,1-3H3;4-6H,1-3H3;4-8H,1-3H3;3*3-7H,1-2H3
• InChIKey: ASXLLBTXELSDRY-UHFFFAOYSA-N
• XLogP: 26.96
• TPSA: 27.69 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1531.48
LogP ≤ 5	26.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethylsulfanyl)benzene;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene?

The IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethylsulfanyl)benzene;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene (CID 157220382) is 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethylsulfanyl)benzene;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene.

What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethylsulfanyl)benzene;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene?

The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethylsulfanyl)benzene;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene is CC(C)c1ccc(C(C)(C(F)(F)F)C(F)(F)F)cc1.CC(C)c1ccc(SC(F)(F)F)cc1.CC(C)c1ccc([Si](C)(C(F)(F)F)C(F)(F)F)cc1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1cccc(SC(F)(F)F)c1.Cc1cc(C(C)C)cc(OC(F)(F)F)c1OC(F)(F)F.

What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethylsulfanyl)benzene;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene?

The InChIKey is ASXLLBTXELSDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F6.C12H12F6O2.C12H14F6Si.C10H11F3O.2C10H11F3S/c1-8(2)9-4-6-10(7-5-9)11(3,12(14,15)16)13(17,18)19;1-6(2)8-4-7(3)10(20-12(16,17)18)9(5-8)19-11(13,14)15;1-8(2)9-4-6-10(7-5-9)19(3,11(13,14)15)12(16,17)18;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13/h4-8H,1-3H3;4-6H,1-3H3;4-8H,1-3H3;3*3-7H,1-2H3.

What are the key properties of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethylsulfanyl)benzene;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene?

1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethylsulfanyl)benzene;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 1531.48 g/mol, XLogP of 26.96, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-propan-2-ylbenzene;1-methyl-5-propan-2-yl-2,3-bis(trifluoromethoxy)benzene;methyl-(4-propan-2-ylphenyl)-bis(trifluoromethyl)silane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethylsulfanyl)benzene;1-propan-2-yl-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 157220382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).