N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide

C6H8F3NO2 — CID 45119229

IUPACN-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide
SMILESCC(=O)NC(C)C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c1-3(10-4(2)11)5(12)6(7,8)9/h3H,1-2H3,(H,10,11)
InChIKeyCYOUGROTSGVHFL-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.64
Rot. Bonds2

About N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide

N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide (PubChem CID 45119229) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide
PubChem CID45119229
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC NameN-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide
SMILESCC(=O)NC(C)C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c1-3(10-4(2)11)5(12)6(7,8)9/h3H,1-2H3,(H,10,11)
InChIKeyCYOUGROTSGVHFL-UHFFFAOYSA-N
XLogP0.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide
CID 10590079
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-N',N'-dimethyl-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide
CID 10768371
(2S)-2-acetamidopropanoate
CID 6926438
(2S)-2-acetamidopropanoyl iodide
CID 126569176
N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 58879224
N-(1-fluoroethyl)acetamide
CID 123354067
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
(2S)-2-acetamidopropanoate;copper(1+)
CID 175469092
methyl (2R)-2-acetamidopropanoate
CID 6951031
2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 22561436
(2S)-2-acetamido-3-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenyl-1-[(4,4,4-trifluoro-3-oxobutan-2-yl)amino]propan-2-yl]amino]butan-2-yl]butanamide
CID 10530197

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide?
The IUPAC name of N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide (CID 45119229) is N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide.
What is the SMILES notation for N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide?
The canonical SMILES for N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide is CC(=O)NC(C)C(=O)C(F)(F)F.
What is the InChIKey of N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide?
The InChIKey is CYOUGROTSGVHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c1-3(10-4(2)11)5(12)6(7,8)9/h3H,1-2H3,(H,10,11).
What are the key properties of N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide?
N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide has a molecular weight of 183.13 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide is sourced from PubChem (CID 45119229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).