2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]acetic acid

C6H9F3N2O4S — CID 84807059

IUPAC2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]acetic acid
SMILESO=C(O)CN1CCN(CC(F)(F)F)S1(=O)=O
InChIInChI=1S/C6H9F3N2O4S/c7-6(8,9)4-11-2-1-10(3-5(12)13)16(11,14)15/h1-4H2,(H,12,13)
InChIKeyNHNHFJFHYRBIRQ-UHFFFAOYSA-N
MW262.21 g/mol
LogP-0.50
Rot. Bonds3

About 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]acetic acid

2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]acetic acid (PubChem CID 84807059) has the molecular formula C6H9F3N2O4S and a molecular weight of 262.21 g/mol. Its IUPAC name is 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]acetic acid
PubChem CID84807059
Molecular FormulaC6H9F3N2O4S
Molecular Weight262.21 g/mol
Exact Mass262.02
IUPAC Name2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]acetic acid
SMILESO=C(O)CN1CCN(CC(F)(F)F)S1(=O)=O
InChIInChI=1S/C6H9F3N2O4S/c7-6(8,9)4-11-2-1-10(3-5(12)13)16(11,14)15/h1-4H2,(H,12,13)
InChIKeyNHNHFJFHYRBIRQ-UHFFFAOYSA-N
XLogP-0.50
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]acetic acid?
The IUPAC name of 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]acetic acid (CID 84807059) is 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]acetic acid is O=C(O)CN1CCN(CC(F)(F)F)S1(=O)=O.
What is the InChIKey of 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]acetic acid?
The InChIKey is NHNHFJFHYRBIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O4S/c7-6(8,9)4-11-2-1-10(3-5(12)13)16(11,14)15/h1-4H2,(H,12,13).
What are the key properties of 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]acetic acid?
2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]acetic acid has a molecular weight of 262.21 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]acetic acid is sourced from PubChem (CID 84807059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).