1,1-dioxo-4-(2,2,2-trifluoroethylamino)thiolan-3-ol

C6H10F3NO3S — CID 60665999

IUPAC1,1-dioxo-4-(2,2,2-trifluoroethylamino)thiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCC(F)(F)F)C1
InChIInChI=1S/C6H10F3NO3S/c7-6(8,9)3-10-4-1-14(12,13)2-5(4)11/h4-5,10-11H,1-3H2
InChIKeyCUHUXUFIJOXVMY-UHFFFAOYSA-N
MW233.21 g/mol
LogP-0.70
Rot. Bonds2

About 1,1-dioxo-4-(2,2,2-trifluoroethylamino)thiolan-3-ol

1,1-dioxo-4-(2,2,2-trifluoroethylamino)thiolan-3-ol (PubChem CID 60665999) has the molecular formula C6H10F3NO3S and a molecular weight of 233.21 g/mol. Its IUPAC name is 1,1-dioxo-4-(2,2,2-trifluoroethylamino)thiolan-3-ol.

Molecular Properties

Compound Name1,1-dioxo-4-(2,2,2-trifluoroethylamino)thiolan-3-ol
PubChem CID60665999
Molecular FormulaC6H10F3NO3S
Molecular Weight233.21 g/mol
Exact Mass233.03
IUPAC Name1,1-dioxo-4-(2,2,2-trifluoroethylamino)thiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCC(F)(F)F)C1
InChIInChI=1S/C6H10F3NO3S/c7-6(8,9)3-10-4-1-14(12,13)2-5(4)11/h4-5,10-11H,1-3H2
InChIKeyCUHUXUFIJOXVMY-UHFFFAOYSA-N
XLogP-0.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-(2,2,2-trifluoroethylamino)thiolan-3-ol?
The IUPAC name of 1,1-dioxo-4-(2,2,2-trifluoroethylamino)thiolan-3-ol (CID 60665999) is 1,1-dioxo-4-(2,2,2-trifluoroethylamino)thiolan-3-ol.
What is the SMILES notation for 1,1-dioxo-4-(2,2,2-trifluoroethylamino)thiolan-3-ol?
The canonical SMILES for 1,1-dioxo-4-(2,2,2-trifluoroethylamino)thiolan-3-ol is O=S1(=O)CC(O)C(NCC(F)(F)F)C1.
What is the InChIKey of 1,1-dioxo-4-(2,2,2-trifluoroethylamino)thiolan-3-ol?
The InChIKey is CUHUXUFIJOXVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3S/c7-6(8,9)3-10-4-1-14(12,13)2-5(4)11/h4-5,10-11H,1-3H2.
What are the key properties of 1,1-dioxo-4-(2,2,2-trifluoroethylamino)thiolan-3-ol?
1,1-dioxo-4-(2,2,2-trifluoroethylamino)thiolan-3-ol has a molecular weight of 233.21 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-(2,2,2-trifluoroethylamino)thiolan-3-ol is sourced from PubChem (CID 60665999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).