2-(1,1-difluoroethyl)-2,3,3,4,5,5-hexafluoro-4-methyloxolane

C7H6F8O — CID 89254685

IUPAC2-(1,1-difluoroethyl)-2,3,3,4,5,5-hexafluoro-4-methyloxolane
SMILESCC(F)(F)C1(F)OC(F)(F)C(C)(F)C1(F)F
InChIInChI=1S/C7H6F8O/c1-3(8)5(11,12)6(13,4(2,9)10)16-7(3,14)15/h1-2H3
InChIKeyGWEARIWAGNNUND-UHFFFAOYSA-N
MW258.11 g/mol
LogP3.29
Rot. Bonds1

About 2-(1,1-difluoroethyl)-2,3,3,4,5,5-hexafluoro-4-methyloxolane

2-(1,1-difluoroethyl)-2,3,3,4,5,5-hexafluoro-4-methyloxolane (PubChem CID 89254685) has the molecular formula C7H6F8O and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-2,3,3,4,5,5-hexafluoro-4-methyloxolane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-2,3,3,4,5,5-hexafluoro-4-methyloxolane
PubChem CID89254685
Molecular FormulaC7H6F8O
Molecular Weight258.11 g/mol
Exact Mass258.03
IUPAC Name2-(1,1-difluoroethyl)-2,3,3,4,5,5-hexafluoro-4-methyloxolane
SMILESCC(F)(F)C1(F)OC(F)(F)C(C)(F)C1(F)F
InChIInChI=1S/C7H6F8O/c1-3(8)5(11,12)6(13,4(2,9)10)16-7(3,14)15/h1-2H3
InChIKeyGWEARIWAGNNUND-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 53.29
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)-2,3,3,4,5,5-hexafluoro-4-methyloxolane?
The IUPAC name of 2-(1,1-difluoroethyl)-2,3,3,4,5,5-hexafluoro-4-methyloxolane (CID 89254685) is 2-(1,1-difluoroethyl)-2,3,3,4,5,5-hexafluoro-4-methyloxolane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-2,3,3,4,5,5-hexafluoro-4-methyloxolane?
The canonical SMILES for 2-(1,1-difluoroethyl)-2,3,3,4,5,5-hexafluoro-4-methyloxolane is CC(F)(F)C1(F)OC(F)(F)C(C)(F)C1(F)F.
What is the InChIKey of 2-(1,1-difluoroethyl)-2,3,3,4,5,5-hexafluoro-4-methyloxolane?
The InChIKey is GWEARIWAGNNUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F8O/c1-3(8)5(11,12)6(13,4(2,9)10)16-7(3,14)15/h1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-2,3,3,4,5,5-hexafluoro-4-methyloxolane?
2-(1,1-difluoroethyl)-2,3,3,4,5,5-hexafluoro-4-methyloxolane has a molecular weight of 258.11 g/mol, XLogP of 3.29, 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)-2,3,3,4,5,5-hexafluoro-4-methyloxolane is sourced from PubChem (CID 89254685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).