2,2-dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane

C10H10F10O3 — CID 10893921

IUPAC2,2-dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane
SMILESCC1(C)OCC(C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C10H10F10O3/c1-6(2)21-3-4(22-6)7(12,13)5(11)23-10(19,20)8(14,15)9(16,17)18/h4-5H,3H2,1-2H3
InChIKeyLLNGOAFPUGPNLO-UHFFFAOYSA-N
MW368.17 g/mol
LogP3.88
Rot. Bonds5

About 2,2-dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane

2,2-dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane (PubChem CID 10893921) has the molecular formula C10H10F10O3 and a molecular weight of 368.17 g/mol. Its IUPAC name is 2,2-dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane
PubChem CID10893921
Molecular FormulaC10H10F10O3
Molecular Weight368.17 g/mol
Exact Mass368.05
IUPAC Name2,2-dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane
SMILESCC1(C)OCC(C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C10H10F10O3/c1-6(2)21-3-4(22-6)7(12,13)5(11)23-10(19,20)8(14,15)9(16,17)18/h4-5H,3H2,1-2H3
InChIKeyLLNGOAFPUGPNLO-UHFFFAOYSA-N
XLogP3.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 53.88
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-(Difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 23236997
(S)-4-(Difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 90478036
(4R)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 10953703
2,2-Dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane
CID 15472345
2,2-Dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-dioxolane
CID 15472346
2,2-Difluoro-4-(methoxymethyl)-1,3-dioxolane
CID 119096835
3,3-Diethoxyperfluoro-2-methyloxolane
CID 129762031
3,3-Di-isopropoxyperfluoro-2-methyloxolane
CID 129762070
2,2-Dimethyl-4-(2,2,2-trifluoro-1-methoxyethyl)-1,3-dioxolane
CID 73826838
4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane, trifluoroacetate
CID 91692011
4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane, pentafluoropropionate
CID 91692052
2,2-Dimethyl-4-(pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane
CID 91740244

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane (CID 10893921) is 2,2-dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane is CC1(C)OCC(C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 2,2-dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane?
The InChIKey is LLNGOAFPUGPNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F10O3/c1-6(2)21-3-4(22-6)7(12,13)5(11)23-10(19,20)8(14,15)9(16,17)18/h4-5H,3H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane?
2,2-dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane has a molecular weight of 368.17 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane is sourced from PubChem (CID 10893921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).