1,1-dioxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]thiolan-3-ol

C8H14F3NO4S — CID 63826816

IUPAC1,1-dioxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]thiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCCOCC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO4S/c9-8(10,11)5-16-2-1-12-6-3-17(14,15)4-7(6)13/h6-7,12-13H,1-5H2
InChIKeyZQPNCPVAXFNREM-UHFFFAOYSA-N
MW277.26 g/mol
LogP-0.69
Rot. Bonds5

About 1,1-dioxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]thiolan-3-ol

1,1-dioxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]thiolan-3-ol (PubChem CID 63826816) has the molecular formula C8H14F3NO4S and a molecular weight of 277.26 g/mol. Its IUPAC name is 1,1-dioxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]thiolan-3-ol.

Molecular Properties

Compound Name1,1-dioxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]thiolan-3-ol
PubChem CID63826816
Molecular FormulaC8H14F3NO4S
Molecular Weight277.26 g/mol
Exact Mass277.06
IUPAC Name1,1-dioxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]thiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCCOCC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO4S/c9-8(10,11)5-16-2-1-12-6-3-17(14,15)4-7(6)13/h6-7,12-13H,1-5H2
InChIKeyZQPNCPVAXFNREM-UHFFFAOYSA-N
XLogP-0.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]thiolan-3-ol?
The IUPAC name of 1,1-dioxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]thiolan-3-ol (CID 63826816) is 1,1-dioxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]thiolan-3-ol.
What is the SMILES notation for 1,1-dioxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]thiolan-3-ol?
The canonical SMILES for 1,1-dioxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]thiolan-3-ol is O=S1(=O)CC(O)C(NCCOCC(F)(F)F)C1.
What is the InChIKey of 1,1-dioxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]thiolan-3-ol?
The InChIKey is ZQPNCPVAXFNREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO4S/c9-8(10,11)5-16-2-1-12-6-3-17(14,15)4-7(6)13/h6-7,12-13H,1-5H2.
What are the key properties of 1,1-dioxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]thiolan-3-ol?
1,1-dioxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]thiolan-3-ol has a molecular weight of 277.26 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]thiolan-3-ol is sourced from PubChem (CID 63826816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).