3-(1,1-difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane

C8H8F8O — CID 20700672

IUPAC3-(1,1-difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane
SMILESCC1(F)CC(F)(F)C(F)(C(C)(F)F)C(F)(F)O1
InChIInChI=1S/C8H8F8O/c1-4(9)3-6(12,13)7(14,5(2,10)11)8(15,16)17-4/h3H2,1-2H3
InChIKeyWGBXRVZZTOLWDY-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.68
Rot. Bonds1

About 3-(1,1-difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane

3-(1,1-difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane (PubChem CID 20700672) has the molecular formula C8H8F8O and a molecular weight of 272.13 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane
PubChem CID20700672
Molecular FormulaC8H8F8O
Molecular Weight272.13 g/mol
Exact Mass272.04
IUPAC Name3-(1,1-difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane
SMILESCC1(F)CC(F)(F)C(F)(C(C)(F)F)C(F)(F)O1
InChIInChI=1S/C8H8F8O/c1-4(9)3-6(12,13)7(14,5(2,10)11)8(15,16)17-4/h3H2,1-2H3
InChIKeyWGBXRVZZTOLWDY-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(1,1-difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane?
The IUPAC name of 3-(1,1-difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane (CID 20700672) is 3-(1,1-difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane?
The canonical SMILES for 3-(1,1-difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane is CC1(F)CC(F)(F)C(F)(C(C)(F)F)C(F)(F)O1.
What is the InChIKey of 3-(1,1-difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane?
The InChIKey is WGBXRVZZTOLWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F8O/c1-4(9)3-6(12,13)7(14,5(2,10)11)8(15,16)17-4/h3H2,1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane?
3-(1,1-difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane has a molecular weight of 272.13 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane is sourced from PubChem (CID 20700672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).