6-(1,1-difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane

C9H10F8O — CID 58488790

IUPAC6-(1,1-difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane
SMILESCCC1(F)CC(F)(C(C)(F)F)OC(F)(F)C1(F)F
InChIInChI=1S/C9H10F8O/c1-3-6(12)4-7(13,5(2,10)11)18-9(16,17)8(6,14)15/h3-4H2,1-2H3
InChIKeyYGKYFJMASAQKGS-UHFFFAOYSA-N
MW286.16 g/mol
LogP4.07
Rot. Bonds2

About 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane

6-(1,1-difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane (PubChem CID 58488790) has the molecular formula C9H10F8O and a molecular weight of 286.16 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane
PubChem CID58488790
Molecular FormulaC9H10F8O
Molecular Weight286.16 g/mol
Exact Mass286.06
IUPAC Name6-(1,1-difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane
SMILESCCC1(F)CC(F)(C(C)(F)F)OC(F)(F)C1(F)F
InChIInChI=1S/C9H10F8O/c1-3-6(12)4-7(13,5(2,10)11)18-9(16,17)8(6,14)15/h3-4H2,1-2H3
InChIKeyYGKYFJMASAQKGS-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane?
The IUPAC name of 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane (CID 58488790) is 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane.
What is the SMILES notation for 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane?
The canonical SMILES for 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane is CCC1(F)CC(F)(C(C)(F)F)OC(F)(F)C1(F)F.
What is the InChIKey of 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane?
The InChIKey is YGKYFJMASAQKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F8O/c1-3-6(12)4-7(13,5(2,10)11)18-9(16,17)8(6,14)15/h3-4H2,1-2H3.
What are the key properties of 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane?
6-(1,1-difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane has a molecular weight of 286.16 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane is sourced from PubChem (CID 58488790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).