N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-methylacetamide

C7H10F3NO3S — CID 62732618

IUPACN-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H10F3NO3S/c1-11(6(12)7(8,9)10)5-2-3-15(13,14)4-5/h5H,2-4H2,1H3
InChIKeyIKLGQANOYHUJRR-UHFFFAOYSA-N
MW245.22 g/mol
LogP0.19
Rot. Bonds1

About N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-methylacetamide

N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 62732618) has the molecular formula C7H10F3NO3S and a molecular weight of 245.22 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID62732618
Molecular FormulaC7H10F3NO3S
Molecular Weight245.22 g/mol
Exact Mass245.03
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H10F3NO3S/c1-11(6(12)7(8,9)10)5-2-3-15(13,14)4-5/h5H,2-4H2,1H3
InChIKeyIKLGQANOYHUJRR-UHFFFAOYSA-N
XLogP0.19
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-methylacetamide (CID 62732618) is N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is IKLGQANOYHUJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3S/c1-11(6(12)7(8,9)10)5-2-3-15(13,14)4-5/h5H,2-4H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-methylacetamide?
N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 245.22 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 62732618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).