4,5-ditert-butyl-2,2-difluoro-1,3-dioxolane

C11H20F2O2 — CID 118300586

IUPAC4,5-ditert-butyl-2,2-difluoro-1,3-dioxolane
SMILESCC(C)(C)C1OC(F)(F)OC1C(C)(C)C
InChIInChI=1S/C11H20F2O2/c1-9(2,3)7-8(10(4,5)6)15-11(12,13)14-7/h7-8H,1-6H3
InChIKeyDBAZEBMQALOMOG-UHFFFAOYSA-N
MW222.27 g/mol
LogP3.41
Rot. Bonds

About 4,5-ditert-butyl-2,2-difluoro-1,3-dioxolane

4,5-ditert-butyl-2,2-difluoro-1,3-dioxolane (PubChem CID 118300586) has the molecular formula C11H20F2O2 and a molecular weight of 222.27 g/mol. Its IUPAC name is 4,5-ditert-butyl-2,2-difluoro-1,3-dioxolane.

Molecular Properties

Compound Name4,5-ditert-butyl-2,2-difluoro-1,3-dioxolane
PubChem CID118300586
Molecular FormulaC11H20F2O2
Molecular Weight222.27 g/mol
Exact Mass222.14
IUPAC Name4,5-ditert-butyl-2,2-difluoro-1,3-dioxolane
SMILESCC(C)(C)C1OC(F)(F)OC1C(C)(C)C
InChIInChI=1S/C11H20F2O2/c1-9(2,3)7-8(10(4,5)6)15-11(12,13)14-7/h7-8H,1-6H3
InChIKeyDBAZEBMQALOMOG-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2,2-difluoro-1,3-dioxolane?
The IUPAC name of 4,5-ditert-butyl-2,2-difluoro-1,3-dioxolane (CID 118300586) is 4,5-ditert-butyl-2,2-difluoro-1,3-dioxolane.
What is the SMILES notation for 4,5-ditert-butyl-2,2-difluoro-1,3-dioxolane?
The canonical SMILES for 4,5-ditert-butyl-2,2-difluoro-1,3-dioxolane is CC(C)(C)C1OC(F)(F)OC1C(C)(C)C.
What is the InChIKey of 4,5-ditert-butyl-2,2-difluoro-1,3-dioxolane?
The InChIKey is DBAZEBMQALOMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O2/c1-9(2,3)7-8(10(4,5)6)15-11(12,13)14-7/h7-8H,1-6H3.
What are the key properties of 4,5-ditert-butyl-2,2-difluoro-1,3-dioxolane?
4,5-ditert-butyl-2,2-difluoro-1,3-dioxolane has a molecular weight of 222.27 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-2,2-difluoro-1,3-dioxolane is sourced from PubChem (CID 118300586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).