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

C6H8F3NO2 — CID 64997358

IUPAC2,2,2-trifluoro-N-(3-oxobutan-2-yl)acetamide
SMILESCC(=O)C(C)NC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c1-3(4(2)11)10-5(12)6(7,8)9/h3H,1-2H3,(H,10,12)
InChIKeyTYNZUDVMOUODPB-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.64
Rot. Bonds2

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

2,2,2-trifluoro-N-(3-oxobutan-2-yl)acetamide (PubChem CID 64997358) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-oxobutan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-oxobutan-2-yl)acetamide
PubChem CID64997358
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name2,2,2-trifluoro-N-(3-oxobutan-2-yl)acetamide
SMILESCC(=O)C(C)NC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c1-3(4(2)11)10-5(12)6(7,8)9/h3H,1-2H3,(H,10,12)
InChIKeyTYNZUDVMOUODPB-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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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-oxobutan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-oxobutan-2-yl)acetamide (CID 64997358) is 2,2,2-trifluoro-N-(3-oxobutan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-oxobutan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-oxobutan-2-yl)acetamide is CC(=O)C(C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-oxobutan-2-yl)acetamide?
The InChIKey is TYNZUDVMOUODPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c1-3(4(2)11)10-5(12)6(7,8)9/h3H,1-2H3,(H,10,12).
What are the key properties of 2,2,2-trifluoro-N-(3-oxobutan-2-yl)acetamide?
2,2,2-trifluoro-N-(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 2,2,2-trifluoro-N-(3-oxobutan-2-yl)acetamide is sourced from PubChem (CID 64997358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).