3-ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane

C12H11F15O — CID 58275076

IUPAC3-ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane
SMILESCCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C12H11F15O/c1-2-6(3-7(13,14)15,4-8(16,17)18)5-28-9(10(19,20)21,11(22,23)24)12(25,26)27/h2-5H2,1H3
InChIKeyFQBUBAOALCKHOL-UHFFFAOYSA-N
MW456.19 g/mol
LogP6.73
Rot. Bonds6

About 3-ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane

3-ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane (PubChem CID 58275076) has the molecular formula C12H11F15O and a molecular weight of 456.19 g/mol. Its IUPAC name is 3-ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane.

Molecular Properties

Compound Name3-ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane
PubChem CID58275076
Molecular FormulaC12H11F15O
Molecular Weight456.19 g/mol
Exact Mass456.06
IUPAC Name3-ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane
SMILESCCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C12H11F15O/c1-2-6(3-7(13,14)15,4-8(16,17)18)5-28-9(10(19,20)21,11(22,23)24)12(25,26)27/h2-5H2,1H3
InChIKeyFQBUBAOALCKHOL-UHFFFAOYSA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.19
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane?
The IUPAC name of 3-ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane (CID 58275076) is 3-ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane.
What is the SMILES notation for 3-ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane?
The canonical SMILES for 3-ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane is CCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 3-ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane?
The InChIKey is FQBUBAOALCKHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F15O/c1-2-6(3-7(13,14)15,4-8(16,17)18)5-28-9(10(19,20)21,11(22,23)24)12(25,26)27/h2-5H2,1H3.
What are the key properties of 3-ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane?
3-ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane has a molecular weight of 456.19 g/mol, XLogP of 6.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane is sourced from PubChem (CID 58275076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).