4-ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane;fluoromethane

C9H16F4O2 — CID 91156451

IUPAC4-ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane;fluoromethane
SMILESCCC1(F)OC(C)(C)OCC1(F)F.CF
InChIInChI=1S/C8H13F3O2.CH3F/c1-4-8(11)7(9,10)5-12-6(2,3)13-8;1-2/h4-5H2,1-3H3;1H3
InChIKeySFMIKPWABNTZSQ-UHFFFAOYSA-N
MW232.22 g/mol
LogP3.07
Rot. Bonds1

About 4-ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane;fluoromethane

4-ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane;fluoromethane (PubChem CID 91156451) has the molecular formula C9H16F4O2 and a molecular weight of 232.22 g/mol. Its IUPAC name is 4-ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane;fluoromethane.

Molecular Properties

Compound Name4-ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane;fluoromethane
PubChem CID91156451
Molecular FormulaC9H16F4O2
Molecular Weight232.22 g/mol
Exact Mass232.11
IUPAC Name4-ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane;fluoromethane
SMILESCCC1(F)OC(C)(C)OCC1(F)F.CF
InChIInChI=1S/C8H13F3O2.CH3F/c1-4-8(11)7(9,10)5-12-6(2,3)13-8;1-2/h4-5H2,1-3H3;1H3
InChIKeySFMIKPWABNTZSQ-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane;fluoromethane?
The IUPAC name of 4-ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane;fluoromethane (CID 91156451) is 4-ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane;fluoromethane.
What is the SMILES notation for 4-ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane;fluoromethane?
The canonical SMILES for 4-ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane;fluoromethane is CCC1(F)OC(C)(C)OCC1(F)F.CF.
What is the InChIKey of 4-ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane;fluoromethane?
The InChIKey is SFMIKPWABNTZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2.CH3F/c1-4-8(11)7(9,10)5-12-6(2,3)13-8;1-2/h4-5H2,1-3H3;1H3.
What are the key properties of 4-ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane;fluoromethane?
4-ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane;fluoromethane has a molecular weight of 232.22 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane;fluoromethane is sourced from PubChem (CID 91156451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).