2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane

C12H20F4O2 — CID 67950645

IUPAC2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane
SMILESCC(C)(C)C(F)(F)C1(C(C)(C)C)OCC(F)(F)O1
InChIInChI=1S/C12H20F4O2/c1-8(2,3)11(15,16)12(9(4,5)6)17-7-10(13,14)18-12/h7H2,1-6H3
InChIKeyWOFLLIREVYZKDA-UHFFFAOYSA-N
MW272.28 g/mol
LogP4.05
Rot. Bonds1

About 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane

2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane (PubChem CID 67950645) has the molecular formula C12H20F4O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane.

Molecular Properties

Compound Name2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane
PubChem CID67950645
Molecular FormulaC12H20F4O2
Molecular Weight272.28 g/mol
Exact Mass272.14
IUPAC Name2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane
SMILESCC(C)(C)C(F)(F)C1(C(C)(C)C)OCC(F)(F)O1
InChIInChI=1S/C12H20F4O2/c1-8(2,3)11(15,16)12(9(4,5)6)17-7-10(13,14)18-12/h7H2,1-6H3
InChIKeyWOFLLIREVYZKDA-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane with MolForge

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Related Compounds

4,5-Ditert-butyl-4,5-difluoro-2,2-dimethyl-1,3-dioxolane
CID 68073063
2-Tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane
CID 71039348
2-(1,1-Difluoro-2,2-dimethylbutyl)-2-ethyl-1,3-dioxolane
CID 71056909
2-(1,1-Difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane
CID 71056986
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 88037601
4,5-Ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 88558595
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 88871601
4-Tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 88895495
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylbutyl)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 89652577
2-Tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 89652578
4,5-Ditert-butyl-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane
CID 89652583
4,5-Difluoro-2,2,4-trimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane
CID 90308479

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane?
The IUPAC name of 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane (CID 67950645) is 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane.
What is the SMILES notation for 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane?
The canonical SMILES for 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane is CC(C)(C)C(F)(F)C1(C(C)(C)C)OCC(F)(F)O1.
What is the InChIKey of 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane?
The InChIKey is WOFLLIREVYZKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F4O2/c1-8(2,3)11(15,16)12(9(4,5)6)17-7-10(13,14)18-12/h7H2,1-6H3.
What are the key properties of 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane?
2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane has a molecular weight of 272.28 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane is sourced from PubChem (CID 67950645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).