4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide

C11H10F3NO3S — CID 141435454

IUPAC4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide
SMILESCN(C)C(=O)C(C(=O)c1cccs1)C(=O)C(F)(F)F
InChIInChI=1S/C11H10F3NO3S/c1-15(2)10(18)7(9(17)11(12,13)14)8(16)6-4-3-5-19-6/h3-5,7H,1-2H3
InChIKeyGWKCBLOKBGZPPA-UHFFFAOYSA-N
MW293.27 g/mol
LogP1.77
Rot. Bonds4

About 4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide

4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide (PubChem CID 141435454) has the molecular formula C11H10F3NO3S and a molecular weight of 293.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide
PubChem CID141435454
Molecular FormulaC11H10F3NO3S
Molecular Weight293.27 g/mol
Exact Mass293.03
IUPAC Name4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide
SMILESCN(C)C(=O)C(C(=O)c1cccs1)C(=O)C(F)(F)F
InChIInChI=1S/C11H10F3NO3S/c1-15(2)10(18)7(9(17)11(12,13)14)8(16)6-4-3-5-19-6/h3-5,7H,1-2H3
InChIKeyGWKCBLOKBGZPPA-UHFFFAOYSA-N
XLogP1.77
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide with MolForge

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Related Compounds

ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505
N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide
CID 165362140
2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one
CID 103749127
2-amino-3-oxo-3-thiophen-2-ylpropanoic acid
CID 23461562
4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoic acid
CID 57367558
(2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one
CID 93492517
ethyl (2S)-3-oxo-2-(thiophene-2-carbonyl)butanoate
CID 98044566
(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone
CID 672167
(2R)-2-hydroxy-1,2-dithiophen-2-ylethanone
CID 725360
N-(2,2-difluoroethyl)-N-methylthiophene-2-carboxamide
CID 115611555
2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one
CID 116593132
2-propyl-1,3-dithiophen-2-ylpropane-1,3-dione
CID 132603517

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide (CID 141435454) is 4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide is CN(C)C(=O)C(C(=O)c1cccs1)C(=O)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide?
The InChIKey is GWKCBLOKBGZPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3S/c1-15(2)10(18)7(9(17)11(12,13)14)8(16)6-4-3-5-19-6/h3-5,7H,1-2H3.
What are the key properties of 4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide?
4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide has a molecular weight of 293.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide is sourced from PubChem (CID 141435454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).