2-ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane

C13H10F14O4 — CID 59628158

IUPAC2-ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane
SMILESCCC1(C(F)(F)F)OC(F)(F)C(F)(C(F)(F)C2(F)OC(CC)(C(F)(F)F)OC2(F)F)O1
InChIInChI=1S/C13H10F14O4/c1-3-5(10(18,19)20)28-8(16,12(24,25)30-5)7(14,15)9(17)13(26,27)31-6(4-2,29-9)11(21,22)23/h3-4H2,1-2H3
InChIKeyXLYDPIPJJDQSHP-UHFFFAOYSA-N
MW496.19 g/mol
LogP5.57
Rot. Bonds4

About 2-ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane

2-ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 59628158) has the molecular formula C13H10F14O4 and a molecular weight of 496.19 g/mol. Its IUPAC name is 2-ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID59628158
Molecular FormulaC13H10F14O4
Molecular Weight496.19 g/mol
Exact Mass496.04
IUPAC Name2-ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane
SMILESCCC1(C(F)(F)F)OC(F)(F)C(F)(C(F)(F)C2(F)OC(CC)(C(F)(F)F)OC2(F)F)O1
InChIInChI=1S/C13H10F14O4/c1-3-5(10(18,19)20)28-8(16,12(24,25)30-5)7(14,15)9(17)13(26,27)31-6(4-2,29-9)11(21,22)23/h3-4H2,1-2H3
InChIKeyXLYDPIPJJDQSHP-UHFFFAOYSA-N
XLogP5.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.19
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2-ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane (CID 59628158) is 2-ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2-ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane is CCC1(C(F)(F)F)OC(F)(F)C(F)(C(F)(F)C2(F)OC(CC)(C(F)(F)F)OC2(F)F)O1.
What is the InChIKey of 2-ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is XLYDPIPJJDQSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F14O4/c1-3-5(10(18,19)20)28-8(16,12(24,25)30-5)7(14,15)9(17)13(26,27)31-6(4-2,29-9)11(21,22)23/h3-4H2,1-2H3.
What are the key properties of 2-ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane?
2-ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 496.19 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 59628158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).