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

C8H6F10O3 — CID 18710858

IUPAC2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane
SMILESCC(F)(F)C(F)(F)C1(F)OC(F)(F)OC1(C)OC(F)(F)F
InChIInChI=1S/C8H6F10O3/c1-3(9,10)5(11,12)6(13)4(2,19-7(14,15)16)20-8(17,18)21-6/h1-2H3
InChIKeyKHQISAHQAYVARY-UHFFFAOYSA-N
MW340.11 g/mol
LogP3.79
Rot. Bonds3

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

2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane (PubChem CID 18710858) has the molecular formula C8H6F10O3 and a molecular weight of 340.11 g/mol. Its IUPAC name is 2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane
PubChem CID18710858
Molecular FormulaC8H6F10O3
Molecular Weight340.11 g/mol
Exact Mass340.02
IUPAC Name2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane
SMILESCC(F)(F)C(F)(F)C1(F)OC(F)(F)OC1(C)OC(F)(F)F
InChIInChI=1S/C8H6F10O3/c1-3(9,10)5(11,12)6(13)4(2,19-7(14,15)16)20-8(17,18)21-6/h1-2H3
InChIKeyKHQISAHQAYVARY-UHFFFAOYSA-N
XLogP3.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.11
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4,5-Difluoro-4-methyl-5-(1,1,2,2-tetrafluoropropyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 18683775
2,2,4-Trifluoro-5-methoxy-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-1,3-dioxolane
CID 18710860
4,5-Difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 20743579
4,5-Bis(1,1-difluoroethyl)-2,2,4,5-tetrafluoro-1,3-dioxolane
CID 20823502
4-Ethyl-2,2,5-trifluoro-5-(2,2,3,3-tetrafluorobutyl)-4-(trifluoromethoxy)-1,3-dioxolane
CID 21134549
2,2,4-Trifluoro-5-methyl-4-(2,2,3,3-tetrafluorobutyl)-5-(trifluoromethoxy)-1,3-dioxolane
CID 22088871
4-Ethyl-2,4,5-trifluoro-5-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 22887513
2,4-Difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 23534653
2,2,4-Trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane
CID 23553810
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
2-Fluoro-4-methyl-5-propyl-2-(trifluoromethyl)-1,3-dioxolane
CID 57583082

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane?
The IUPAC name of 2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane (CID 18710858) is 2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane.
What is the SMILES notation for 2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane?
The canonical SMILES for 2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane is CC(F)(F)C(F)(F)C1(F)OC(F)(F)OC1(C)OC(F)(F)F.
What is the InChIKey of 2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane?
The InChIKey is KHQISAHQAYVARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F10O3/c1-3(9,10)5(11,12)6(13)4(2,19-7(14,15)16)20-8(17,18)21-6/h1-2H3.
What are the key properties of 2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane?
2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane has a molecular weight of 340.11 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethoxy)-1,3-dioxolane is sourced from PubChem (CID 18710858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).