2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C11H19F3N2O4S — CID 103865017

IUPAC2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)CN(CCO)CC(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C11H19F3N2O4S/c1-10(2-5-21(19,20)8-10)15-9(18)6-16(3-4-17)7-11(12,13)14/h17H,2-8H2,1H3,(H,15,18)
InChIKeyTYOVQMFINAGGGJ-UHFFFAOYSA-N
MW332.34 g/mol
LogP-0.46
Rot. Bonds6

About 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 103865017) has the molecular formula C11H19F3N2O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID103865017
Molecular FormulaC11H19F3N2O4S
Molecular Weight332.34 g/mol
Exact Mass332.10
IUPAC Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)CN(CCO)CC(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C11H19F3N2O4S/c1-10(2-5-21(19,20)8-10)15-9(18)6-16(3-4-17)7-11(12,13)14/h17H,2-8H2,1H3,(H,15,18)
InChIKeyTYOVQMFINAGGGJ-UHFFFAOYSA-N
XLogP-0.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 103865017) is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CC1(NC(=O)CN(CCO)CC(F)(F)F)CCS(=O)(=O)C1.
What is the InChIKey of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is TYOVQMFINAGGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O4S/c1-10(2-5-21(19,20)8-10)15-9(18)6-16(3-4-17)7-11(12,13)14/h17H,2-8H2,1H3,(H,15,18).
What are the key properties of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 332.34 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 103865017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).