4,5-ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane

C12H23FO2 — CID 118300585

IUPAC4,5-ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane
SMILESCC1(F)OC(C(C)(C)C)C(C(C)(C)C)O1
InChIInChI=1S/C12H23FO2/c1-10(2,3)8-9(11(4,5)6)15-12(7,13)14-8/h8-9H,1-7H3
InChIKeyITPRRBHGWQVGCW-UHFFFAOYSA-N
MW218.31 g/mol
LogP3.51
Rot. Bonds

About 4,5-ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane

4,5-ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane (PubChem CID 118300585) has the molecular formula C12H23FO2 and a molecular weight of 218.31 g/mol. Its IUPAC name is 4,5-ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name4,5-ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane
PubChem CID118300585
Molecular FormulaC12H23FO2
Molecular Weight218.31 g/mol
Exact Mass218.17
IUPAC Name4,5-ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane
SMILESCC1(F)OC(C(C)(C)C)C(C(C)(C)C)O1
InChIInChI=1S/C12H23FO2/c1-10(2,3)8-9(11(4,5)6)15-12(7,13)14-8/h8-9H,1-7H3
InChIKeyITPRRBHGWQVGCW-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane 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 4,5-ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane?
The IUPAC name of 4,5-ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane (CID 118300585) is 4,5-ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane.
What is the SMILES notation for 4,5-ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane?
The canonical SMILES for 4,5-ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane is CC1(F)OC(C(C)(C)C)C(C(C)(C)C)O1.
What is the InChIKey of 4,5-ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane?
The InChIKey is ITPRRBHGWQVGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO2/c1-10(2,3)8-9(11(4,5)6)15-12(7,13)14-8/h8-9H,1-7H3.
What are the key properties of 4,5-ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane?
4,5-ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane has a molecular weight of 218.31 g/mol, XLogP of 3.51, 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-fluoro-2-methyl-1,3-dioxolane is sourced from PubChem (CID 118300585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).