2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene

C23H14F6 — CID 164898429

IUPAC2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene
SMILESFC(F)(F)C(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C23H14F6/c24-22(25,26)21(23(27,28)29,19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
InChIKeyCMHHJQZEDGYSMA-UHFFFAOYSA-N
MW404.35 g/mol
LogP7.40
Rot. Bonds2

About 2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene

2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene (PubChem CID 164898429) has the molecular formula C23H14F6 and a molecular weight of 404.35 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene
PubChem CID164898429
Molecular FormulaC23H14F6
Molecular Weight404.35 g/mol
Exact Mass404.10
IUPAC Name2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene
SMILESFC(F)(F)C(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C23H14F6/c24-22(25,26)21(23(27,28)29,19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
InChIKeyCMHHJQZEDGYSMA-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.35
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene (CID 164898429) is 2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene is FC(F)(F)C(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene?
The InChIKey is CMHHJQZEDGYSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F6/c24-22(25,26)21(23(27,28)29,19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene?
2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene has a molecular weight of 404.35 g/mol, XLogP of 7.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)naphthalene is sourced from PubChem (CID 164898429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).