2,2,2-trifluoro-N-(2-methyl-4-oxopentan-3-yl)acetamide

C8H12F3NO2 — CID 54360916

IUPAC2,2,2-trifluoro-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C8H12F3NO2/c1-4(2)6(5(3)13)12-7(14)8(9,10)11/h4,6H,1-3H3,(H,12,14)
InChIKeyUMKVZSHSIZJQPC-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.28
Rot. Bonds3

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

2,2,2-trifluoro-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 54360916) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID54360916
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C8H12F3NO2/c1-4(2)6(5(3)13)12-7(14)8(9,10)11/h4,6H,1-3H3,(H,12,14)
InChIKeyUMKVZSHSIZJQPC-UHFFFAOYSA-N
XLogP1.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 54360916) is 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)C(F)(F)F)C(C)C.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is UMKVZSHSIZJQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-4(2)6(5(3)13)12-7(14)8(9,10)11/h4,6H,1-3H3,(H,12,14).
What are the key properties of 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2,2,2-trifluoro-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 211.18 g/mol, XLogP of 1.28, 3 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-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 54360916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).