4-tert-butyl-2,2-difluoro-5-methyl-1,3-dioxolane

C8H14F2O2 — CID 146888380

IUPAC4-tert-butyl-2,2-difluoro-5-methyl-1,3-dioxolane
SMILESCC1OC(F)(F)OC1C(C)(C)C
InChIInChI=1S/C8H14F2O2/c1-5-6(7(2,3)4)12-8(9,10)11-5/h5-6H,1-4H3
InChIKeySXZMROOBYHJUNN-UHFFFAOYSA-N
MW180.19 g/mol
LogP2.39
Rot. Bonds

About 4-tert-butyl-2,2-difluoro-5-methyl-1,3-dioxolane

4-tert-butyl-2,2-difluoro-5-methyl-1,3-dioxolane (PubChem CID 146888380) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is 4-tert-butyl-2,2-difluoro-5-methyl-1,3-dioxolane.

Molecular Properties

Compound Name4-tert-butyl-2,2-difluoro-5-methyl-1,3-dioxolane
PubChem CID146888380
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name4-tert-butyl-2,2-difluoro-5-methyl-1,3-dioxolane
SMILESCC1OC(F)(F)OC1C(C)(C)C
InChIInChI=1S/C8H14F2O2/c1-5-6(7(2,3)4)12-8(9,10)11-5/h5-6H,1-4H3
InChIKeySXZMROOBYHJUNN-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-2,2-difluoro-5-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-tert-butyl-2,2-difluoro-5-methyl-1,3-dioxolane?
The IUPAC name of 4-tert-butyl-2,2-difluoro-5-methyl-1,3-dioxolane (CID 146888380) is 4-tert-butyl-2,2-difluoro-5-methyl-1,3-dioxolane.
What is the SMILES notation for 4-tert-butyl-2,2-difluoro-5-methyl-1,3-dioxolane?
The canonical SMILES for 4-tert-butyl-2,2-difluoro-5-methyl-1,3-dioxolane is CC1OC(F)(F)OC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2,2-difluoro-5-methyl-1,3-dioxolane?
The InChIKey is SXZMROOBYHJUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-5-6(7(2,3)4)12-8(9,10)11-5/h5-6H,1-4H3.
What are the key properties of 4-tert-butyl-2,2-difluoro-5-methyl-1,3-dioxolane?
4-tert-butyl-2,2-difluoro-5-methyl-1,3-dioxolane has a molecular weight of 180.19 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,2-difluoro-5-methyl-1,3-dioxolane is sourced from PubChem (CID 146888380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).