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

C10H10F10O3 — CID 21134549

IUPAC4-ethyl-2,2,5-trifluoro-5-(2,2,3,3-tetrafluorobutyl)-4-(trifluoromethoxy)-1,3-dioxolane
SMILESCCC1(OC(F)(F)F)OC(F)(F)OC1(F)CC(F)(F)C(C)(F)F
InChIInChI=1S/C10H10F10O3/c1-3-8(22-9(16,17)18)7(15,21-10(19,20)23-8)4-6(13,14)5(2,11)12/h3-4H2,1-2H3
InChIKeyAQGCWHQAPAJDLH-UHFFFAOYSA-N
MW368.17 g/mol
LogP4.57
Rot. Bonds5

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

4-ethyl-2,2,5-trifluoro-5-(2,2,3,3-tetrafluorobutyl)-4-(trifluoromethoxy)-1,3-dioxolane (PubChem CID 21134549) has the molecular formula C10H10F10O3 and a molecular weight of 368.17 g/mol. Its IUPAC name is 4-ethyl-2,2,5-trifluoro-5-(2,2,3,3-tetrafluorobutyl)-4-(trifluoromethoxy)-1,3-dioxolane.

Molecular Properties

Compound Name4-ethyl-2,2,5-trifluoro-5-(2,2,3,3-tetrafluorobutyl)-4-(trifluoromethoxy)-1,3-dioxolane
PubChem CID21134549
Molecular FormulaC10H10F10O3
Molecular Weight368.17 g/mol
Exact Mass368.05
IUPAC Name4-ethyl-2,2,5-trifluoro-5-(2,2,3,3-tetrafluorobutyl)-4-(trifluoromethoxy)-1,3-dioxolane
SMILESCCC1(OC(F)(F)F)OC(F)(F)OC1(F)CC(F)(F)C(C)(F)F
InChIInChI=1S/C10H10F10O3/c1-3-8(22-9(16,17)18)7(15,21-10(19,20)23-8)4-6(13,14)5(2,11)12/h3-4H2,1-2H3
InChIKeyAQGCWHQAPAJDLH-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2,5-trifluoro-5-(2,2,3,3-tetrafluorobutyl)-4-(trifluoromethoxy)-1,3-dioxolane?
The IUPAC name of 4-ethyl-2,2,5-trifluoro-5-(2,2,3,3-tetrafluorobutyl)-4-(trifluoromethoxy)-1,3-dioxolane (CID 21134549) is 4-ethyl-2,2,5-trifluoro-5-(2,2,3,3-tetrafluorobutyl)-4-(trifluoromethoxy)-1,3-dioxolane.
What is the SMILES notation for 4-ethyl-2,2,5-trifluoro-5-(2,2,3,3-tetrafluorobutyl)-4-(trifluoromethoxy)-1,3-dioxolane?
The canonical SMILES for 4-ethyl-2,2,5-trifluoro-5-(2,2,3,3-tetrafluorobutyl)-4-(trifluoromethoxy)-1,3-dioxolane is CCC1(OC(F)(F)F)OC(F)(F)OC1(F)CC(F)(F)C(C)(F)F.
What is the InChIKey of 4-ethyl-2,2,5-trifluoro-5-(2,2,3,3-tetrafluorobutyl)-4-(trifluoromethoxy)-1,3-dioxolane?
The InChIKey is AQGCWHQAPAJDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F10O3/c1-3-8(22-9(16,17)18)7(15,21-10(19,20)23-8)4-6(13,14)5(2,11)12/h3-4H2,1-2H3.
What are the key properties of 4-ethyl-2,2,5-trifluoro-5-(2,2,3,3-tetrafluorobutyl)-4-(trifluoromethoxy)-1,3-dioxolane?
4-ethyl-2,2,5-trifluoro-5-(2,2,3,3-tetrafluorobutyl)-4-(trifluoromethoxy)-1,3-dioxolane has a molecular weight of 368.17 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2,5-trifluoro-5-(2,2,3,3-tetrafluorobutyl)-4-(trifluoromethoxy)-1,3-dioxolane is sourced from PubChem (CID 21134549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).