2-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide

C11H14F3NO — CID 162559201

IUPAC2-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide
SMILESCC(C)C(=O)NC1=CC(C(F)(F)F)=CCC1
InChIInChI=1S/C11H14F3NO/c1-7(2)10(16)15-9-5-3-4-8(6-9)11(12,13)14/h4,6-7H,3,5H2,1-2H3,(H,15,16)
InChIKeyKRIUHYXVGXSEJW-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.92
Rot. Bonds2

About 2-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide

2-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide (PubChem CID 162559201) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide
PubChem CID162559201
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide
SMILESCC(C)C(=O)NC1=CC(C(F)(F)F)=CCC1
InChIInChI=1S/C11H14F3NO/c1-7(2)10(16)15-9-5-3-4-8(6-9)11(12,13)14/h4,6-7H,3,5H2,1-2H3,(H,15,16)
InChIKeyKRIUHYXVGXSEJW-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide 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-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide?
The IUPAC name of 2-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide (CID 162559201) is 2-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide is CC(C)C(=O)NC1=CC(C(F)(F)F)=CCC1.
What is the InChIKey of 2-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide?
The InChIKey is KRIUHYXVGXSEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7(2)10(16)15-9-5-3-4-8(6-9)11(12,13)14/h4,6-7H,3,5H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide?
2-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide has a molecular weight of 233.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide is sourced from PubChem (CID 162559201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).