N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide

C8H12F3NO3S — CID 63374753

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(C(=O)C(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H12F3NO3S/c1-2-12(7(13)8(9,10)11)6-3-4-16(14,15)5-6/h6H,2-5H2,1H3
InChIKeyNMADSZZUNVVXBR-UHFFFAOYSA-N
MW259.25 g/mol
LogP0.58
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide (PubChem CID 63374753) has the molecular formula C8H12F3NO3S and a molecular weight of 259.25 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide
PubChem CID63374753
Molecular FormulaC8H12F3NO3S
Molecular Weight259.25 g/mol
Exact Mass259.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(C(=O)C(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H12F3NO3S/c1-2-12(7(13)8(9,10)11)6-3-4-16(14,15)5-6/h6H,2-5H2,1H3
InChIKeyNMADSZZUNVVXBR-UHFFFAOYSA-N
XLogP0.58
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,3,3-tetrafluoropropanamide
CID 103732386
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2-dimethyl-N'-propan-2-ylpropanediamide
CID 108957229
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
N-cycloheptyl-N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-2,2-dimethylpropanediamide
CID 108965235
3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 47238302
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
ethyl 2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoacetate
CID 7732470
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
N-[3,5-bis(trifluoromethyl)phenyl]-N'-(1,1-dioxothiolan-3-yl)-N'-ethyloxamide
CID 108526948
1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide
CID 115452794

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide (CID 63374753) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide is CCN(C(=O)C(F)(F)F)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide?
The InChIKey is NMADSZZUNVVXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3S/c1-2-12(7(13)8(9,10)11)6-3-4-16(14,15)5-6/h6H,2-5H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide has a molecular weight of 259.25 g/mol, XLogP of 0.58, 2 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)-N-ethyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 63374753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).