(4S,6R)-2,2-dimethyl-4-[(E)-prop-1-enyl]-6-(2,2,2-trifluoroethyl)-1,3-dioxane

C11H17F3O2 — CID 143223662

IUPAC(4S,6R)-2,2-dimethyl-4-[(E)-prop-1-enyl]-6-(2,2,2-trifluoroethyl)-1,3-dioxane
SMILESC/C=C/[C@@H]1C[C@H](CC(F)(F)F)OC(C)(C)O1
InChIInChI=1S/C11H17F3O2/c1-4-5-8-6-9(7-11(12,13)14)16-10(2,3)15-8/h4-5,8-9H,6-7H2,1-3H3/b5-4+/t8-,9-/m1/s1
InChIKeyHWYSWGTXSIOYQZ-HOMPQPGZSA-N
MW238.25 g/mol
LogP3.43
Rot. Bonds2

About (4S,6R)-2,2-dimethyl-4-[(E)-prop-1-enyl]-6-(2,2,2-trifluoroethyl)-1,3-dioxane

(4S,6R)-2,2-dimethyl-4-[(E)-prop-1-enyl]-6-(2,2,2-trifluoroethyl)-1,3-dioxane (PubChem CID 143223662) has the molecular formula C11H17F3O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is (4S,6R)-2,2-dimethyl-4-[(E)-prop-1-enyl]-6-(2,2,2-trifluoroethyl)-1,3-dioxane.

Molecular Properties

Compound Name(4S,6R)-2,2-dimethyl-4-[(E)-prop-1-enyl]-6-(2,2,2-trifluoroethyl)-1,3-dioxane
PubChem CID143223662
Molecular FormulaC11H17F3O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name(4S,6R)-2,2-dimethyl-4-[(E)-prop-1-enyl]-6-(2,2,2-trifluoroethyl)-1,3-dioxane
SMILESC/C=C/[C@@H]1C[C@H](CC(F)(F)F)OC(C)(C)O1
InChIInChI=1S/C11H17F3O2/c1-4-5-8-6-9(7-11(12,13)14)16-10(2,3)15-8/h4-5,8-9H,6-7H2,1-3H3/b5-4+/t8-,9-/m1/s1
InChIKeyHWYSWGTXSIOYQZ-HOMPQPGZSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-2,2-dimethyl-4-[(E)-prop-1-enyl]-6-(2,2,2-trifluoroethyl)-1,3-dioxane?
The IUPAC name of (4S,6R)-2,2-dimethyl-4-[(E)-prop-1-enyl]-6-(2,2,2-trifluoroethyl)-1,3-dioxane (CID 143223662) is (4S,6R)-2,2-dimethyl-4-[(E)-prop-1-enyl]-6-(2,2,2-trifluoroethyl)-1,3-dioxane.
What is the SMILES notation for (4S,6R)-2,2-dimethyl-4-[(E)-prop-1-enyl]-6-(2,2,2-trifluoroethyl)-1,3-dioxane?
The canonical SMILES for (4S,6R)-2,2-dimethyl-4-[(E)-prop-1-enyl]-6-(2,2,2-trifluoroethyl)-1,3-dioxane is C/C=C/[C@@H]1C[C@H](CC(F)(F)F)OC(C)(C)O1.
What is the InChIKey of (4S,6R)-2,2-dimethyl-4-[(E)-prop-1-enyl]-6-(2,2,2-trifluoroethyl)-1,3-dioxane?
The InChIKey is HWYSWGTXSIOYQZ-HOMPQPGZSA-N. The full InChI is InChI=1S/C11H17F3O2/c1-4-5-8-6-9(7-11(12,13)14)16-10(2,3)15-8/h4-5,8-9H,6-7H2,1-3H3/b5-4+/t8-,9-/m1/s1.
What are the key properties of (4S,6R)-2,2-dimethyl-4-[(E)-prop-1-enyl]-6-(2,2,2-trifluoroethyl)-1,3-dioxane?
(4S,6R)-2,2-dimethyl-4-[(E)-prop-1-enyl]-6-(2,2,2-trifluoroethyl)-1,3-dioxane has a molecular weight of 238.25 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-2,2-dimethyl-4-[(E)-prop-1-enyl]-6-(2,2,2-trifluoroethyl)-1,3-dioxane is sourced from PubChem (CID 143223662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).