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

C8H10F6O2 — CID 23382504

IUPAC4-ethyl-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCC1OC(C(F)(F)F)(C(F)(F)F)OC1C
InChIInChI=1S/C8H10F6O2/c1-3-5-4(2)15-6(16-5,7(9,10)11)8(12,13)14/h4-5H,3H2,1-2H3
InChIKeyGXUFVEHXNDRTGL-UHFFFAOYSA-N
MW252.15 g/mol
LogP3.02
Rot. Bonds1

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

4-ethyl-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 23382504) has the molecular formula C8H10F6O2 and a molecular weight of 252.15 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-ethyl-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID23382504
Molecular FormulaC8H10F6O2
Molecular Weight252.15 g/mol
Exact Mass252.06
IUPAC Name4-ethyl-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCC1OC(C(F)(F)F)(C(F)(F)F)OC1C
InChIInChI=1S/C8H10F6O2/c1-3-5-4(2)15-6(16-5,7(9,10)11)8(12,13)14/h4-5H,3H2,1-2H3
InChIKeyGXUFVEHXNDRTGL-UHFFFAOYSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4-ethyl-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 23382504) is 4-ethyl-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4-ethyl-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4-ethyl-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is CCC1OC(C(F)(F)F)(C(F)(F)F)OC1C.
What is the InChIKey of 4-ethyl-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is GXUFVEHXNDRTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O2/c1-3-5-4(2)15-6(16-5,7(9,10)11)8(12,13)14/h4-5H,3H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4-ethyl-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 252.15 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 23382504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).