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

C12H10F12O4 — CID 59628174

IUPAC2-ethyl-4-[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane
SMILESCCC1(C(F)(F)F)OC(F)(F)C(F)(C2(F)OC(CC)(C(F)(F)F)OC2(F)F)O1
InChIInChI=1S/C12H10F12O4/c1-3-5(9(15,16)17)25-7(13,11(21,22)27-5)8(14)12(23,24)28-6(4-2,26-8)10(18,19)20/h3-4H2,1-2H3
InChIKeyIBNWFKXMQBGTON-UHFFFAOYSA-N
MW446.18 g/mol
LogP4.93
Rot. Bonds3

About 2-ethyl-4-[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-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]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 59628174) has the molecular formula C12H10F12O4 and a molecular weight of 446.18 g/mol. Its IUPAC name is 2-ethyl-4-[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-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]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID59628174
Molecular FormulaC12H10F12O4
Molecular Weight446.18 g/mol
Exact Mass446.04
IUPAC Name2-ethyl-4-[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane
SMILESCCC1(C(F)(F)F)OC(F)(F)C(F)(C2(F)OC(CC)(C(F)(F)F)OC2(F)F)O1
InChIInChI=1S/C12H10F12O4/c1-3-5(9(15,16)17)25-7(13,11(21,22)27-5)8(14)12(23,24)28-6(4-2,26-8)10(18,19)20/h3-4H2,1-2H3
InChIKeyIBNWFKXMQBGTON-UHFFFAOYSA-N
XLogP4.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.18
LogP ≤ 54.93
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]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane with MolForge

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Related Compounds

2-ethyl-4,4,5,6,6-pentafluoro-5-(1,1,2,2,3-pentafluoropropyl)-2-(trifluoromethyl)-1,3-dioxane
CID 59628153
2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 170016088
butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
CID 174909301
1,1,5,5,7,7,11,11-octafluoro-3-(fluoromethoxymethyl)-9-methyl-3,9-bis(trifluoromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 88555411
2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane
CID 159803316
2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
CID 54145359
2-ethyl-2-(trifluoromethyl)oxirane
CID 23233498
1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane
CID 121274032
2,4,4,5-tetrafluoro-5-methyl-2-(trifluoromethyl)-1,3-dioxolane
CID 22090858
1-ethyl-2,2-difluoro-1-(trifluoromethyl)cyclopropane
CID 121274020
2-dimethoxyphosphoryl-3,3-difluoro-2-(trifluoromethyl)oxirane
CID 12829625
hexadecyl(trimethyl)azanium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;bromide
CID 175179340

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]-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]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane (CID 59628174) is 2-ethyl-4-[2-ethyl-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolan-4-yl]-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]-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]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane is CCC1(C(F)(F)F)OC(F)(F)C(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]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is IBNWFKXMQBGTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F12O4/c1-3-5(9(15,16)17)25-7(13,11(21,22)27-5)8(14)12(23,24)28-6(4-2,26-8)10(18,19)20/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]-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]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 446.18 g/mol, XLogP of 4.93, 3 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]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 59628174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).