2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane

C8H8F8O2 — CID 170016088

IUPAC2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCC1(C)OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C8H8F8O2/c1-3-4(2)17-5(9,7(11,12)13)6(10,18-4)8(14,15)16/h3H2,1-2H3
InChIKeyXVXUWPGWKWERAG-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.62
Rot. Bonds1

About 2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane

2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 170016088) has the molecular formula C8H8F8O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID170016088
Molecular FormulaC8H8F8O2
Molecular Weight288.13 g/mol
Exact Mass288.04
IUPAC Name2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCC1(C)OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C8H8F8O2/c1-3-4(2)17-5(9,7(11,12)13)6(10,18-4)8(14,15)16/h3H2,1-2H3
InChIKeyXVXUWPGWKWERAG-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane with MolForge

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Related Compounds

2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
CID 54145359
2,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane
CID 12520925
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
4-(1,1-difluoropropyl)-4,5-difluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 122581265
butanal;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
CID 174909301
1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane
CID 121274032
4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid
CID 86017593
hexadecyl(trimethyl)azanium;2,2,3-trifluoro-3-(trifluoromethyl)oxirane;bromide
CID 175179340
[2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride
CID 58201875
2-(1,1-difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane;methane
CID 159803316
acetylene;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
CID 163960521
2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane
CID 14045703

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane (CID 170016088) is 2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane is CCC1(C)OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1.
What is the InChIKey of 2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is XVXUWPGWKWERAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F8O2/c1-3-4(2)17-5(9,7(11,12)13)6(10,18-4)8(14,15)16/h3H2,1-2H3.
What are the key properties of 2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane?
2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 288.13 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 170016088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).