(2S,4S,6R)-2-ethenyl-6-[(Z)-2-(2,2,2-trifluoroethoxy)ethenyl]oxan-4-ol

C11H15F3O3 — CID 66552210

IUPAC(2S,4S,6R)-2-ethenyl-6-[(Z)-2-(2,2,2-trifluoroethoxy)ethenyl]oxan-4-ol
SMILESC=C[C@@H]1C[C@H](O)C[C@H](/C=C\OCC(F)(F)F)O1
InChIInChI=1S/C11H15F3O3/c1-2-9-5-8(15)6-10(17-9)3-4-16-7-11(12,13)14/h2-4,8-10,15H,1,5-7H2/b4-3-/t8-,9+,10-/m0/s1
InChIKeyXBUJGUHHXLEBDG-VUCKIDGMSA-N
MW252.23 g/mol
LogP2.17
Rot. Bonds4

About (2S,4S,6R)-2-ethenyl-6-[(Z)-2-(2,2,2-trifluoroethoxy)ethenyl]oxan-4-ol

(2S,4S,6R)-2-ethenyl-6-[(Z)-2-(2,2,2-trifluoroethoxy)ethenyl]oxan-4-ol (PubChem CID 66552210) has the molecular formula C11H15F3O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is (2S,4S,6R)-2-ethenyl-6-[(Z)-2-(2,2,2-trifluoroethoxy)ethenyl]oxan-4-ol.

Molecular Properties

Compound Name(2S,4S,6R)-2-ethenyl-6-[(Z)-2-(2,2,2-trifluoroethoxy)ethenyl]oxan-4-ol
PubChem CID66552210
Molecular FormulaC11H15F3O3
Molecular Weight252.23 g/mol
Exact Mass252.10
IUPAC Name(2S,4S,6R)-2-ethenyl-6-[(Z)-2-(2,2,2-trifluoroethoxy)ethenyl]oxan-4-ol
SMILESC=C[C@@H]1C[C@H](O)C[C@H](/C=C\OCC(F)(F)F)O1
InChIInChI=1S/C11H15F3O3/c1-2-9-5-8(15)6-10(17-9)3-4-16-7-11(12,13)14/h2-4,8-10,15H,1,5-7H2/b4-3-/t8-,9+,10-/m0/s1
InChIKeyXBUJGUHHXLEBDG-VUCKIDGMSA-N
XLogP2.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,6R)-2-ethenyl-6-[(Z)-2-(2,2,2-trifluoroethoxy)ethenyl]oxan-4-ol?
The IUPAC name of (2S,4S,6R)-2-ethenyl-6-[(Z)-2-(2,2,2-trifluoroethoxy)ethenyl]oxan-4-ol (CID 66552210) is (2S,4S,6R)-2-ethenyl-6-[(Z)-2-(2,2,2-trifluoroethoxy)ethenyl]oxan-4-ol.
What is the SMILES notation for (2S,4S,6R)-2-ethenyl-6-[(Z)-2-(2,2,2-trifluoroethoxy)ethenyl]oxan-4-ol?
The canonical SMILES for (2S,4S,6R)-2-ethenyl-6-[(Z)-2-(2,2,2-trifluoroethoxy)ethenyl]oxan-4-ol is C=C[C@@H]1C[C@H](O)C[C@H](/C=C\OCC(F)(F)F)O1.
What is the InChIKey of (2S,4S,6R)-2-ethenyl-6-[(Z)-2-(2,2,2-trifluoroethoxy)ethenyl]oxan-4-ol?
The InChIKey is XBUJGUHHXLEBDG-VUCKIDGMSA-N. The full InChI is InChI=1S/C11H15F3O3/c1-2-9-5-8(15)6-10(17-9)3-4-16-7-11(12,13)14/h2-4,8-10,15H,1,5-7H2/b4-3-/t8-,9+,10-/m0/s1.
What are the key properties of (2S,4S,6R)-2-ethenyl-6-[(Z)-2-(2,2,2-trifluoroethoxy)ethenyl]oxan-4-ol?
(2S,4S,6R)-2-ethenyl-6-[(Z)-2-(2,2,2-trifluoroethoxy)ethenyl]oxan-4-ol has a molecular weight of 252.23 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6R)-2-ethenyl-6-[(Z)-2-(2,2,2-trifluoroethoxy)ethenyl]oxan-4-ol is sourced from PubChem (CID 66552210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).