N-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C8H13F3N2O3S — CID 78914753

IUPACN-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1CCS(=O)(=O)C1
InChIInChI=1S/C8H13F3N2O3S/c9-8(10,11)5-12-3-7(14)13-6-1-2-17(15,16)4-6/h6,12H,1-5H2,(H,13,14)
InChIKeyKKJZVMVXEGIMAQ-UHFFFAOYSA-N
MW274.26 g/mol
LogP-0.56
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914753) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914753
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1CCS(=O)(=O)C1
InChIInChI=1S/C8H13F3N2O3S/c9-8(10,11)5-12-3-7(14)13-6-1-2-17(15,16)4-6/h6,12H,1-5H2,(H,13,14)
InChIKeyKKJZVMVXEGIMAQ-UHFFFAOYSA-N
XLogP-0.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914753) is N-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is KKJZVMVXEGIMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c9-8(10,11)5-12-3-7(14)13-6-1-2-17(15,16)4-6/h6,12H,1-5H2,(H,13,14).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 274.26 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).