4-[1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-propan-2-ylphenyl)propan-2-yl]-1-methyl-2-propan-2-ylbenzene

C23H26F6 — CID 88554019

IUPAC4-[1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-propan-2-ylphenyl)propan-2-yl]-1-methyl-2-propan-2-ylbenzene
SMILESCc1cc(C(c2ccc(C)c(C(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1C(C)C
InChIInChI=1S/C23H26F6/c1-13(2)19-10-9-17(11-16(19)6)21(22(24,25)26,23(27,28)29)18-8-7-15(5)20(12-18)14(3)4/h7-14H,1-6H3
InChIKeyYVOGBMGBAPITAF-UHFFFAOYSA-N
MW416.45 g/mol
LogP7.96
Rot. Bonds4

About 4-[1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-propan-2-ylphenyl)propan-2-yl]-1-methyl-2-propan-2-ylbenzene

4-[1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-propan-2-ylphenyl)propan-2-yl]-1-methyl-2-propan-2-ylbenzene (PubChem CID 88554019) has the molecular formula C23H26F6 and a molecular weight of 416.45 g/mol. Its IUPAC name is 4-[1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-propan-2-ylphenyl)propan-2-yl]-1-methyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name4-[1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-propan-2-ylphenyl)propan-2-yl]-1-methyl-2-propan-2-ylbenzene
PubChem CID88554019
Molecular FormulaC23H26F6
Molecular Weight416.45 g/mol
Exact Mass416.19
IUPAC Name4-[1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-propan-2-ylphenyl)propan-2-yl]-1-methyl-2-propan-2-ylbenzene
SMILESCc1cc(C(c2ccc(C)c(C(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1C(C)C
InChIInChI=1S/C23H26F6/c1-13(2)19-10-9-17(11-16(19)6)21(22(24,25)26,23(27,28)29)18-8-7-15(5)20(12-18)14(3)4/h7-14H,1-6H3
InChIKeyYVOGBMGBAPITAF-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.45
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-propan-2-ylphenyl)propan-2-yl]-1-methyl-2-propan-2-ylbenzene?
The IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-propan-2-ylphenyl)propan-2-yl]-1-methyl-2-propan-2-ylbenzene (CID 88554019) is 4-[1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-propan-2-ylphenyl)propan-2-yl]-1-methyl-2-propan-2-ylbenzene.
What is the SMILES notation for 4-[1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-propan-2-ylphenyl)propan-2-yl]-1-methyl-2-propan-2-ylbenzene?
The canonical SMILES for 4-[1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-propan-2-ylphenyl)propan-2-yl]-1-methyl-2-propan-2-ylbenzene is Cc1cc(C(c2ccc(C)c(C(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1C(C)C.
What is the InChIKey of 4-[1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-propan-2-ylphenyl)propan-2-yl]-1-methyl-2-propan-2-ylbenzene?
The InChIKey is YVOGBMGBAPITAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F6/c1-13(2)19-10-9-17(11-16(19)6)21(22(24,25)26,23(27,28)29)18-8-7-15(5)20(12-18)14(3)4/h7-14H,1-6H3.
What are the key properties of 4-[1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-propan-2-ylphenyl)propan-2-yl]-1-methyl-2-propan-2-ylbenzene?
4-[1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-propan-2-ylphenyl)propan-2-yl]-1-methyl-2-propan-2-ylbenzene has a molecular weight of 416.45 g/mol, XLogP of 7.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-propan-2-ylphenyl)propan-2-yl]-1-methyl-2-propan-2-ylbenzene is sourced from PubChem (CID 88554019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).