N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide

C7H10F3NO3S — CID 62492521

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCC1CCS(=O)(=O)C1)C(F)(F)F
InChIInChI=1S/C7H10F3NO3S/c8-7(9,10)6(12)11-3-5-1-2-15(13,14)4-5/h5H,1-4H2,(H,11,12)
InChIKeyHWVLKHSSJSVXGK-UHFFFAOYSA-N
MW245.22 g/mol
LogP0.10
Rot. Bonds2

About N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide

N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 62492521) has the molecular formula C7H10F3NO3S and a molecular weight of 245.22 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID62492521
Molecular FormulaC7H10F3NO3S
Molecular Weight245.22 g/mol
Exact Mass245.03
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCC1CCS(=O)(=O)C1)C(F)(F)F
InChIInChI=1S/C7H10F3NO3S/c8-7(9,10)6(12)11-3-5-1-2-15(13,14)4-5/h5H,1-4H2,(H,11,12)
InChIKeyHWVLKHSSJSVXGK-UHFFFAOYSA-N
XLogP0.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(1,1,2,2,3,3,3-heptafluoropropylthio)acetamide
CID 3547026
N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoroacetamide
CID 43859554
2,2,2-trifluoro-N-(2-methyl-2-methylsulfonylbutyl)acetamide
CID 117953814
2,2,2-trifluoro-N-(4-methylsulfonylbutyl)acetamide
CID 129217708
(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 130294141
N-(1,1-dioxothiolan-2-yl)-2,2,2-trifluoroacetamide
CID 150291440
2-methyl-N-(4,4,4-trifluoro-3-methylsulfonylbutyl)propanamide
CID 167018805
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide
CID 7177562
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide
CID 11888610
1,1-dioxo-N-[2-(trifluoromethylsulfanyl)ethyl]thiolane-3-carboxamide
CID 47042758
N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoropropanamide
CID 51076767
N-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 53330516

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide (CID 62492521) is N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide is O=C(NCC1CCS(=O)(=O)C1)C(F)(F)F.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is HWVLKHSSJSVXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3S/c8-7(9,10)6(12)11-3-5-1-2-15(13,14)4-5/h5H,1-4H2,(H,11,12).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 245.22 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62492521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).