2-ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane

C9H8F10O2 — CID 137436674

IUPAC2-ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane
SMILESCCC1(F)OC(F)(C(F)(F)F)C(F)(F)OC1(C)C(F)(F)F
InChIInChI=1S/C9H8F10O2/c1-3-5(10)4(2,7(12,13)14)20-9(18,19)6(11,21-5)8(15,16)17/h3H2,1-2H3
InChIKeyYCERWKISKYAMJH-UHFFFAOYSA-N
MW338.14 g/mol
LogP4.25
Rot. Bonds1

About 2-ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane

2-ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane (PubChem CID 137436674) has the molecular formula C9H8F10O2 and a molecular weight of 338.14 g/mol. Its IUPAC name is 2-ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane.

Molecular Properties

Compound Name2-ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane
PubChem CID137436674
Molecular FormulaC9H8F10O2
Molecular Weight338.14 g/mol
Exact Mass338.04
IUPAC Name2-ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane
SMILESCCC1(F)OC(F)(C(F)(F)F)C(F)(F)OC1(C)C(F)(F)F
InChIInChI=1S/C9H8F10O2/c1-3-5(10)4(2,7(12,13)14)20-9(18,19)6(11,21-5)8(15,16)17/h3H2,1-2H3
InChIKeyYCERWKISKYAMJH-UHFFFAOYSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane?
The IUPAC name of 2-ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane (CID 137436674) is 2-ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane.
What is the SMILES notation for 2-ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane?
The canonical SMILES for 2-ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane is CCC1(F)OC(F)(C(F)(F)F)C(F)(F)OC1(C)C(F)(F)F.
What is the InChIKey of 2-ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane?
The InChIKey is YCERWKISKYAMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F10O2/c1-3-5(10)4(2,7(12,13)14)20-9(18,19)6(11,21-5)8(15,16)17/h3H2,1-2H3.
What are the key properties of 2-ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane?
2-ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane has a molecular weight of 338.14 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5,5,6-tetrafluoro-3-methyl-3,6-bis(trifluoromethyl)-1,4-dioxane is sourced from PubChem (CID 137436674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).