2-(1,1-difluoroethyl)-2,3,3,5,5,6-hexafluoro-6-(trifluoromethyl)oxane

C8H5F11O — CID 58545280

IUPAC2-(1,1-difluoroethyl)-2,3,3,5,5,6-hexafluoro-6-(trifluoromethyl)oxane
SMILESCC(F)(F)C1(F)OC(F)(C(F)(F)F)C(F)(F)CC1(F)F
InChIInChI=1S/C8H5F11O/c1-3(9,10)6(15)4(11,12)2-5(13,14)7(16,20-6)8(17,18)19/h2H2,1H3
InChIKeyKHZLRMUQJODZOO-UHFFFAOYSA-N
MW326.11 g/mol
LogP4.23
Rot. Bonds1

About 2-(1,1-difluoroethyl)-2,3,3,5,5,6-hexafluoro-6-(trifluoromethyl)oxane

2-(1,1-difluoroethyl)-2,3,3,5,5,6-hexafluoro-6-(trifluoromethyl)oxane (PubChem CID 58545280) has the molecular formula C8H5F11O and a molecular weight of 326.11 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-2,3,3,5,5,6-hexafluoro-6-(trifluoromethyl)oxane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-2,3,3,5,5,6-hexafluoro-6-(trifluoromethyl)oxane
PubChem CID58545280
Molecular FormulaC8H5F11O
Molecular Weight326.11 g/mol
Exact Mass326.02
IUPAC Name2-(1,1-difluoroethyl)-2,3,3,5,5,6-hexafluoro-6-(trifluoromethyl)oxane
SMILESCC(F)(F)C1(F)OC(F)(C(F)(F)F)C(F)(F)CC1(F)F
InChIInChI=1S/C8H5F11O/c1-3(9,10)6(15)4(11,12)2-5(13,14)7(16,20-6)8(17,18)19/h2H2,1H3
InChIKeyKHZLRMUQJODZOO-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-2,3,3,5,5,6-hexafluoro-6-(trifluoromethyl)oxane?
The IUPAC name of 2-(1,1-difluoroethyl)-2,3,3,5,5,6-hexafluoro-6-(trifluoromethyl)oxane (CID 58545280) is 2-(1,1-difluoroethyl)-2,3,3,5,5,6-hexafluoro-6-(trifluoromethyl)oxane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-2,3,3,5,5,6-hexafluoro-6-(trifluoromethyl)oxane?
The canonical SMILES for 2-(1,1-difluoroethyl)-2,3,3,5,5,6-hexafluoro-6-(trifluoromethyl)oxane is CC(F)(F)C1(F)OC(F)(C(F)(F)F)C(F)(F)CC1(F)F.
What is the InChIKey of 2-(1,1-difluoroethyl)-2,3,3,5,5,6-hexafluoro-6-(trifluoromethyl)oxane?
The InChIKey is KHZLRMUQJODZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11O/c1-3(9,10)6(15)4(11,12)2-5(13,14)7(16,20-6)8(17,18)19/h2H2,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-2,3,3,5,5,6-hexafluoro-6-(trifluoromethyl)oxane?
2-(1,1-difluoroethyl)-2,3,3,5,5,6-hexafluoro-6-(trifluoromethyl)oxane has a molecular weight of 326.11 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-2,3,3,5,5,6-hexafluoro-6-(trifluoromethyl)oxane is sourced from PubChem (CID 58545280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).