2,2,4-trifluoro-4,5-dimethyl-5-(trifluoromethoxy)-1,3-dioxolane

C6H6F6O3 — CID 21052209

IUPAC2,2,4-trifluoro-4,5-dimethyl-5-(trifluoromethoxy)-1,3-dioxolane
SMILESCC1(F)OC(F)(F)OC1(C)OC(F)(F)F
InChIInChI=1S/C6H6F6O3/c1-3(7)4(2,14-5(8,9)10)15-6(11,12)13-3/h1-2H3
InChIKeyNVMOKQCZSNNGAL-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.52
Rot. Bonds1

About 2,2,4-trifluoro-4,5-dimethyl-5-(trifluoromethoxy)-1,3-dioxolane

2,2,4-trifluoro-4,5-dimethyl-5-(trifluoromethoxy)-1,3-dioxolane (PubChem CID 21052209) has the molecular formula C6H6F6O3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 2,2,4-trifluoro-4,5-dimethyl-5-(trifluoromethoxy)-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4-trifluoro-4,5-dimethyl-5-(trifluoromethoxy)-1,3-dioxolane
PubChem CID21052209
Molecular FormulaC6H6F6O3
Molecular Weight240.10 g/mol
Exact Mass240.02
IUPAC Name2,2,4-trifluoro-4,5-dimethyl-5-(trifluoromethoxy)-1,3-dioxolane
SMILESCC1(F)OC(F)(F)OC1(C)OC(F)(F)F
InChIInChI=1S/C6H6F6O3/c1-3(7)4(2,14-5(8,9)10)15-6(11,12)13-3/h1-2H3
InChIKeyNVMOKQCZSNNGAL-UHFFFAOYSA-N
XLogP2.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Bis(trifluoromethyl)-1,3-dioxolane
CID 120560
Perfluoro-4-methyl-1,3-dioxolane
CID 11053484
2,2-Bis(difluoromethyl)-1,3-dioxolane
CID 21731045
2,2-Bis(difluoromethyl)-4,5-difluoro-1,3-dioxolane
CID 21731048
2,2-Difluoro-4-methyl-1,3-dioxolane
CID 11040697
2,4,4,5,5-Pentafluoro-2-methyl-1,3-dioxolane
CID 12846017
2,4,4,5-Tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
CID 12846019
2-(1,1,2,2,2-Pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 14401465
2,4,4,5-Tetrafluoro-2,5-dimethyl-1,3-dioxolane
CID 19745406
2,2,4,4,5-Pentafluoro-5-methyl-1,3-dioxolane
CID 19745411
4,5-Difluoro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 20656003
4,5-Difluoro-2,2,4,5-tetramethyl-1,3-dioxolane
CID 20700674

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-4,5-dimethyl-5-(trifluoromethoxy)-1,3-dioxolane?
The IUPAC name of 2,2,4-trifluoro-4,5-dimethyl-5-(trifluoromethoxy)-1,3-dioxolane (CID 21052209) is 2,2,4-trifluoro-4,5-dimethyl-5-(trifluoromethoxy)-1,3-dioxolane.
What is the SMILES notation for 2,2,4-trifluoro-4,5-dimethyl-5-(trifluoromethoxy)-1,3-dioxolane?
The canonical SMILES for 2,2,4-trifluoro-4,5-dimethyl-5-(trifluoromethoxy)-1,3-dioxolane is CC1(F)OC(F)(F)OC1(C)OC(F)(F)F.
What is the InChIKey of 2,2,4-trifluoro-4,5-dimethyl-5-(trifluoromethoxy)-1,3-dioxolane?
The InChIKey is NVMOKQCZSNNGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O3/c1-3(7)4(2,14-5(8,9)10)15-6(11,12)13-3/h1-2H3.
What are the key properties of 2,2,4-trifluoro-4,5-dimethyl-5-(trifluoromethoxy)-1,3-dioxolane?
2,2,4-trifluoro-4,5-dimethyl-5-(trifluoromethoxy)-1,3-dioxolane has a molecular weight of 240.10 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-4,5-dimethyl-5-(trifluoromethoxy)-1,3-dioxolane is sourced from PubChem (CID 21052209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).