3-tert-butyl-2,2,3,4,4,5-hexafluorooxolane

C8H10F6O — CID 89114457

IUPAC3-tert-butyl-2,2,3,4,4,5-hexafluorooxolane
SMILESCC(C)(C)C1(F)C(F)(F)OC(F)C1(F)F
InChIInChI=1S/C8H10F6O/c1-5(2,3)7(12)6(10,11)4(9)15-8(7,13)14/h4H,1-3H3
InChIKeyXHKVGSOXJKBNIJ-UHFFFAOYSA-N
MW236.16 g/mol
LogP3.29
Rot. Bonds

About 3-tert-butyl-2,2,3,4,4,5-hexafluorooxolane

3-tert-butyl-2,2,3,4,4,5-hexafluorooxolane (PubChem CID 89114457) has the molecular formula C8H10F6O and a molecular weight of 236.16 g/mol. Its IUPAC name is 3-tert-butyl-2,2,3,4,4,5-hexafluorooxolane.

Molecular Properties

Compound Name3-tert-butyl-2,2,3,4,4,5-hexafluorooxolane
PubChem CID89114457
Molecular FormulaC8H10F6O
Molecular Weight236.16 g/mol
Exact Mass236.06
IUPAC Name3-tert-butyl-2,2,3,4,4,5-hexafluorooxolane
SMILESCC(C)(C)C1(F)C(F)(F)OC(F)C1(F)F
InChIInChI=1S/C8H10F6O/c1-5(2,3)7(12)6(10,11)4(9)15-8(7,13)14/h4H,1-3H3
InChIKeyXHKVGSOXJKBNIJ-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,2,3,4,4,5-hexafluorooxolane?
The IUPAC name of 3-tert-butyl-2,2,3,4,4,5-hexafluorooxolane (CID 89114457) is 3-tert-butyl-2,2,3,4,4,5-hexafluorooxolane.
What is the SMILES notation for 3-tert-butyl-2,2,3,4,4,5-hexafluorooxolane?
The canonical SMILES for 3-tert-butyl-2,2,3,4,4,5-hexafluorooxolane is CC(C)(C)C1(F)C(F)(F)OC(F)C1(F)F.
What is the InChIKey of 3-tert-butyl-2,2,3,4,4,5-hexafluorooxolane?
The InChIKey is XHKVGSOXJKBNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O/c1-5(2,3)7(12)6(10,11)4(9)15-8(7,13)14/h4H,1-3H3.
What are the key properties of 3-tert-butyl-2,2,3,4,4,5-hexafluorooxolane?
3-tert-butyl-2,2,3,4,4,5-hexafluorooxolane has a molecular weight of 236.16 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,2,3,4,4,5-hexafluorooxolane is sourced from PubChem (CID 89114457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).