1-[1,1,1,3,3,3-hexafluoro-2-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]-2,3,4,5,6-pentamethylbenzene

C25H30F6 — CID 18737363

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]-2,3,4,5,6-pentamethylbenzene
SMILESCc1c(C)c(C)c(C(c2c(C)c(C)c(C)c(C)c2C)(C(F)(F)F)C(F)(F)F)c(C)c1C
InChIInChI=1S/C25H30F6/c1-11-13(3)17(7)21(18(8)14(11)4)23(24(26,27)28,25(29,30)31)22-19(9)15(5)12(2)16(6)20(22)10/h1-10H3
InChIKeyOQWSVZRXOKJSAG-UHFFFAOYSA-N
MW444.50 g/mol
LogP8.18
Rot. Bonds2

About 1-[1,1,1,3,3,3-hexafluoro-2-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]-2,3,4,5,6-pentamethylbenzene

1-[1,1,1,3,3,3-hexafluoro-2-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]-2,3,4,5,6-pentamethylbenzene (PubChem CID 18737363) has the molecular formula C25H30F6 and a molecular weight of 444.50 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]-2,3,4,5,6-pentamethylbenzene.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]-2,3,4,5,6-pentamethylbenzene
PubChem CID18737363
Molecular FormulaC25H30F6
Molecular Weight444.50 g/mol
Exact Mass444.23
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]-2,3,4,5,6-pentamethylbenzene
SMILESCc1c(C)c(C)c(C(c2c(C)c(C)c(C)c(C)c2C)(C(F)(F)F)C(F)(F)F)c(C)c1C
InChIInChI=1S/C25H30F6/c1-11-13(3)17(7)21(18(8)14(11)4)23(24(26,27)28,25(29,30)31)22-19(9)15(5)12(2)16(6)20(22)10/h1-10H3
InChIKeyOQWSVZRXOKJSAG-UHFFFAOYSA-N
XLogP8.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]-2,3,4,5,6-pentamethylbenzene?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]-2,3,4,5,6-pentamethylbenzene (CID 18737363) is 1-[1,1,1,3,3,3-hexafluoro-2-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]-2,3,4,5,6-pentamethylbenzene.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]-2,3,4,5,6-pentamethylbenzene?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]-2,3,4,5,6-pentamethylbenzene is Cc1c(C)c(C)c(C(c2c(C)c(C)c(C)c(C)c2C)(C(F)(F)F)C(F)(F)F)c(C)c1C.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]-2,3,4,5,6-pentamethylbenzene?
The InChIKey is OQWSVZRXOKJSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F6/c1-11-13(3)17(7)21(18(8)14(11)4)23(24(26,27)28,25(29,30)31)22-19(9)15(5)12(2)16(6)20(22)10/h1-10H3.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]-2,3,4,5,6-pentamethylbenzene?
1-[1,1,1,3,3,3-hexafluoro-2-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]-2,3,4,5,6-pentamethylbenzene has a molecular weight of 444.50 g/mol, XLogP of 8.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,3-hexafluoro-2-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]-2,3,4,5,6-pentamethylbenzene is sourced from PubChem (CID 18737363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).