4,5-ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane

C13H19F7O2 — CID 88558595

IUPAC4,5-ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane
SMILESCC(C)(C)C1(F)OC(C(F)F)(C(F)(F)F)OC1(F)C(C)(C)C
InChIInChI=1S/C13H19F7O2/c1-8(2,3)11(16)12(17,9(4,5)6)22-10(21-11,7(14)15)13(18,19)20/h7H,1-6H3
InChIKeyAPCAKWNRURTDKY-UHFFFAOYSA-N
MW340.28 g/mol
LogP4.98
Rot. Bonds1

About 4,5-ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane

4,5-ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 88558595) has the molecular formula C13H19F7O2 and a molecular weight of 340.28 g/mol. Its IUPAC name is 4,5-ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID88558595
Molecular FormulaC13H19F7O2
Molecular Weight340.28 g/mol
Exact Mass340.13
IUPAC Name4,5-ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane
SMILESCC(C)(C)C1(F)OC(C(F)F)(C(F)(F)F)OC1(F)C(C)(C)C
InChIInChI=1S/C13H19F7O2/c1-8(2,3)11(16)12(17,9(4,5)6)22-10(21-11,7(14)15)13(18,19)20/h7H,1-6H3
InChIKeyAPCAKWNRURTDKY-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-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

Related Compounds

2,2,4-Trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane
CID 23553811
2-(1,1-Difluoroethyl)-4,5-diethyl-4,5-difluoro-2-methyl-1,3-dioxolane
CID 57582876
4-Tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane
CID 58637702
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane
CID 67950645
4,5-Ditert-butyl-4,5-difluoro-2,2-dimethyl-1,3-dioxolane
CID 68073063
4,5-Difluoro-2-methyl-4,5-bis(2-methylbutan-2-yl)-2-(trifluoromethyl)-1,3-dioxolane
CID 68222742
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-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 88037601
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
4,5-Difluoro-4,5-bis(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 89072473

Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,5-ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane (CID 88558595) is 4,5-ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,5-ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,5-ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane is CC(C)(C)C1(F)OC(C(F)F)(C(F)(F)F)OC1(F)C(C)(C)C.
What is the InChIKey of 4,5-ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is APCAKWNRURTDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F7O2/c1-8(2,3)11(16)12(17,9(4,5)6)22-10(21-11,7(14)15)13(18,19)20/h7H,1-6H3.
What are the key properties of 4,5-ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane?
4,5-ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 340.28 g/mol, XLogP of 4.98, 1 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-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 88558595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).