2-methyl-N-phenyl-N-(trifluoromethyl)propanamide

C11H12F3NO — CID 56944922

IUPAC2-methyl-N-phenyl-N-(trifluoromethyl)propanamide
SMILESCC(C)C(=O)N(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-8(2)10(16)15(11(12,13)14)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyOSXYMRUXEHEQTR-UHFFFAOYSA-N
MW231.22 g/mol
LogP3.20
Rot. Bonds2

About 2-methyl-N-phenyl-N-(trifluoromethyl)propanamide

2-methyl-N-phenyl-N-(trifluoromethyl)propanamide (PubChem CID 56944922) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-methyl-N-phenyl-N-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-N-(trifluoromethyl)propanamide
PubChem CID56944922
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2-methyl-N-phenyl-N-(trifluoromethyl)propanamide
SMILESCC(C)C(=O)N(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-8(2)10(16)15(11(12,13)14)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyOSXYMRUXEHEQTR-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-N-(trifluoromethyl)propanamide?
The IUPAC name of 2-methyl-N-phenyl-N-(trifluoromethyl)propanamide (CID 56944922) is 2-methyl-N-phenyl-N-(trifluoromethyl)propanamide.
What is the SMILES notation for 2-methyl-N-phenyl-N-(trifluoromethyl)propanamide?
The canonical SMILES for 2-methyl-N-phenyl-N-(trifluoromethyl)propanamide is CC(C)C(=O)N(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-methyl-N-phenyl-N-(trifluoromethyl)propanamide?
The InChIKey is OSXYMRUXEHEQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-8(2)10(16)15(11(12,13)14)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 2-methyl-N-phenyl-N-(trifluoromethyl)propanamide?
2-methyl-N-phenyl-N-(trifluoromethyl)propanamide has a molecular weight of 231.22 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-N-(trifluoromethyl)propanamide is sourced from PubChem (CID 56944922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).