N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)benzamide

C12H12F3NO2 — CID 10848857

IUPACN-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C12H12F3NO2/c1-11(2,10(18)12(13,14)15)16-9(17)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,16,17)
InChIKeyMYTJMPHGOLZFIT-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.33
Rot. Bonds3

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

N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)benzamide (PubChem CID 10848857) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)benzamide.

Molecular Properties

Compound NameN-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)benzamide
PubChem CID10848857
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC NameN-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C12H12F3NO2/c1-11(2,10(18)12(13,14)15)16-9(17)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,16,17)
InChIKeyMYTJMPHGOLZFIT-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)benzamide?
The IUPAC name of N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)benzamide (CID 10848857) is N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)benzamide.
What is the SMILES notation for N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)benzamide?
The canonical SMILES for N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)benzamide is CC(C)(NC(=O)c1ccccc1)C(=O)C(F)(F)F.
What is the InChIKey of N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)benzamide?
The InChIKey is MYTJMPHGOLZFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-11(2,10(18)12(13,14)15)16-9(17)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,16,17).
What are the key properties of N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)benzamide?
N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)benzamide has a molecular weight of 259.23 g/mol, XLogP of 2.33, 3 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-2-methyl-3-oxobutan-2-yl)benzamide is sourced from PubChem (CID 10848857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).