[1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol

C7H12F3NO3S — CID 63166303

IUPAC[1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol
SMILESO=S1(=O)CCC(CO)(NCC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)3-11-6(4-12)1-2-15(13,14)5-6/h11-12H,1-5H2
InChIKeyYLKAYYBUEIYJCM-UHFFFAOYSA-N
MW247.24 g/mol
LogP-0.31
Rot. Bonds3

About [1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol

[1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol (PubChem CID 63166303) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is [1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol.

Molecular Properties

Compound Name[1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol
PubChem CID63166303
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC Name[1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol
SMILESO=S1(=O)CCC(CO)(NCC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)3-11-6(4-12)1-2-15(13,14)5-6/h11-12H,1-5H2
InChIKeyYLKAYYBUEIYJCM-UHFFFAOYSA-N
XLogP-0.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol?
The IUPAC name of [1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol (CID 63166303) is [1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol.
What is the SMILES notation for [1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol?
The canonical SMILES for [1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol is O=S1(=O)CCC(CO)(NCC(F)(F)F)C1.
What is the InChIKey of [1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol?
The InChIKey is YLKAYYBUEIYJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c8-7(9,10)3-11-6(4-12)1-2-15(13,14)5-6/h11-12H,1-5H2.
What are the key properties of [1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol?
[1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol has a molecular weight of 247.24 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol is sourced from PubChem (CID 63166303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).