2,2,2-trifluoro-N-(1-phenylprop-2-enyl)acetamide

C11H10F3NO — CID 10823283

IUPAC2,2,2-trifluoro-N-(1-phenylprop-2-enyl)acetamide
SMILESC=CC(NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H10F3NO/c1-2-9(8-6-4-3-5-7-8)15-10(16)11(12,13)14/h2-7,9H,1H2,(H,15,16)
InChIKeyLOVLCZJOFHVJEK-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.59
Rot. Bonds3

About 2,2,2-trifluoro-N-(1-phenylprop-2-enyl)acetamide

2,2,2-trifluoro-N-(1-phenylprop-2-enyl)acetamide (PubChem CID 10823283) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-phenylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-phenylprop-2-enyl)acetamide
PubChem CID10823283
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name2,2,2-trifluoro-N-(1-phenylprop-2-enyl)acetamide
SMILESC=CC(NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H10F3NO/c1-2-9(8-6-4-3-5-7-8)15-10(16)11(12,13)14/h2-7,9H,1H2,(H,15,16)
InChIKeyLOVLCZJOFHVJEK-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-phenylprop-2-enyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-phenylprop-2-enyl)acetamide (CID 10823283) is 2,2,2-trifluoro-N-(1-phenylprop-2-enyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-phenylprop-2-enyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-phenylprop-2-enyl)acetamide is C=CC(NC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-phenylprop-2-enyl)acetamide?
The InChIKey is LOVLCZJOFHVJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-2-9(8-6-4-3-5-7-8)15-10(16)11(12,13)14/h2-7,9H,1H2,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-(1-phenylprop-2-enyl)acetamide?
2,2,2-trifluoro-N-(1-phenylprop-2-enyl)acetamide has a molecular weight of 229.20 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-phenylprop-2-enyl)acetamide is sourced from PubChem (CID 10823283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).