1-[2,4-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;bis(1-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-propan-2-ylbenzene);1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-(3-methyl-5-propan-2-ylphenyl)benzene

C106H96F32 — CID 163497426

About 1-[2,4-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;bis(1-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-propan-2-ylbenzene);1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-(3-methyl-5-propan-2-ylphenyl)benzene

1-[2,4-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;bis(1-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-propan-2-ylbenzene);1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-(3-methyl-5-propan-2-ylphenyl)benzene (PubChem CID 163497426) has the molecular formula C106H96F32 and a molecular weight of 1977.87 g/mol. Its IUPAC name is 1-[2,4-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;bis(1-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-propan-2-ylbenzene);1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-(3-methyl-5-propan-2-ylphenyl)benzene.

Molecular Properties

• Compound Name: 1-[2,4-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;bis(1-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-propan-2-ylbenzene);1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-(3-methyl-5-propan-2-ylphenyl)benzene
• PubChem CID: 163497426
• Molecular Formula: C106H96F32
• Molecular Weight: 1977.87 g/mol
• Exact Mass: 1976.70
• IUPAC Name: 1-[2,4-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;bis(1-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-propan-2-ylbenzene);1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-(3-methyl-5-propan-2-ylphenyl)benzene
• SMILES: Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C(C)C)c1.Cc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(C)C)c1.Cc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(C)C)c1.Cc1cc(-c2ccc(C(F)(F)F)cc2C)cc(C(C)C)c1.Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(C)C)c1.Cc1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c(C(C)C)c1
• InChI: InChI=1S/4C18H16F6.C18H19F3.C16H13F5/c2*1-10(2)12-4-11(3)5-13(6-12)14-7-15(17(19,20)21)9-16(8-14)18(22,23)24;1-10(2)15-8-11(3)4-6-13(15)14-7-5-12(17(19,20)21)9-16(14)18(22,23)24;1-10(2)16-6-11(3)4-5-15(16)12-7-13(17(19,20)21)9-14(8-12)18(22,23)24;1-11(2)14-7-12(3)8-15(10-14)17-6-5-16(9-13(17)4)18(19,20)21;1-7(2)9-4-8(3)5-10(6-9)11-12(17)14(19)16(21)15(20)13(11)18/h4*4-10H,1-3H3;5-11H,1-4H3;4-7H,1-3H3
• InChIKey: CRXNPDWAEPGEHH-UHFFFAOYSA-N
• XLogP: 38.89
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1977.87
LogP ≤ 5	38.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;bis(1-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-propan-2-ylbenzene);1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-(3-methyl-5-propan-2-ylphenyl)benzene?

The IUPAC name of 1-[2,4-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;bis(1-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-propan-2-ylbenzene);1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-(3-methyl-5-propan-2-ylphenyl)benzene (CID 163497426) is 1-[2,4-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;bis(1-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-propan-2-ylbenzene);1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-(3-methyl-5-propan-2-ylphenyl)benzene.

What is the SMILES notation for 1-[2,4-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;bis(1-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-propan-2-ylbenzene);1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-(3-methyl-5-propan-2-ylphenyl)benzene?

The canonical SMILES for 1-[2,4-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;bis(1-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-propan-2-ylbenzene);1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-(3-methyl-5-propan-2-ylphenyl)benzene is Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C(C)C)c1.Cc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(C)C)c1.Cc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(C)C)c1.Cc1cc(-c2ccc(C(F)(F)F)cc2C)cc(C(C)C)c1.Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(C)C)c1.Cc1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c(C(C)C)c1.

What is the InChIKey of 1-[2,4-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;bis(1-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-propan-2-ylbenzene);1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-(3-methyl-5-propan-2-ylphenyl)benzene?

The InChIKey is CRXNPDWAEPGEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H16F6.C18H19F3.C16H13F5/c2*1-10(2)12-4-11(3)5-13(6-12)14-7-15(17(19,20)21)9-16(8-14)18(22,23)24;1-10(2)15-8-11(3)4-6-13(15)14-7-5-12(17(19,20)21)9-16(14)18(22,23)24;1-10(2)16-6-11(3)4-5-15(16)12-7-13(17(19,20)21)9-14(8-12)18(22,23)24;1-11(2)14-7-12(3)8-15(10-14)17-6-5-16(9-13(17)4)18(19,20)21;1-7(2)9-4-8(3)5-10(6-9)11-12(17)14(19)16(21)15(20)13(11)18/h4*4-10H,1-3H3;5-11H,1-4H3;4-7H,1-3H3.

What are the key properties of 1-[2,4-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;bis(1-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-propan-2-ylbenzene);1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-(3-methyl-5-propan-2-ylphenyl)benzene?

1-[2,4-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;bis(1-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-propan-2-ylbenzene);1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-(3-methyl-5-propan-2-ylphenyl)benzene has a molecular weight of 1977.87 g/mol, XLogP of 38.89, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,4-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;bis(1-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-propan-2-ylbenzene);1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylbenzene;1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-5-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-(3-methyl-5-propan-2-ylphenyl)benzene is sourced from PubChem (CID 163497426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).