3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-ol

C7H13F3N2O3S — CID 84807067

IUPAC3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-ol
SMILESO=S1(=O)N(CCCO)CCN1CC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)6-12-4-3-11(2-1-5-13)16(12,14)15/h13H,1-6H2
InChIKeyAINAMQIIOZKNFC-UHFFFAOYSA-N
MW262.25 g/mol
LogP-0.21
Rot. Bonds4

About 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-ol

3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-ol (PubChem CID 84807067) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-ol
PubChem CID84807067
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC Name3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-ol
SMILESO=S1(=O)N(CCCO)CCN1CC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)6-12-4-3-11(2-1-5-13)16(12,14)15/h13H,1-6H2
InChIKeyAINAMQIIOZKNFC-UHFFFAOYSA-N
XLogP-0.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-ol (CID 84807067) is 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-ol is O=S1(=O)N(CCCO)CCN1CC(F)(F)F.
What is the InChIKey of 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-ol?
The InChIKey is AINAMQIIOZKNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c8-7(9,10)6-12-4-3-11(2-1-5-13)16(12,14)15/h13H,1-6H2.
What are the key properties of 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-ol?
3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-ol has a molecular weight of 262.25 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]propan-1-ol is sourced from PubChem (CID 84807067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).