N-(trifluoromethylcarbamoyl)prop-2-enamide

C5H5F3N2O2 — CID 22568336

IUPACN-(trifluoromethylcarbamoyl)prop-2-enamide
SMILESC=CC(=O)NC(=O)NC(F)(F)F
InChIInChI=1S/C5H5F3N2O2/c1-2-3(11)9-4(12)10-5(6,7)8/h2H,1H2,(H2,9,10,11,12)
InChIKeyWKKIATOBPUDYLM-UHFFFAOYSA-N
MW182.10 g/mol
LogP0.52
Rot. Bonds1

About N-(trifluoromethylcarbamoyl)prop-2-enamide

N-(trifluoromethylcarbamoyl)prop-2-enamide (PubChem CID 22568336) has the molecular formula C5H5F3N2O2 and a molecular weight of 182.10 g/mol. Its IUPAC name is N-(trifluoromethylcarbamoyl)prop-2-enamide.

Molecular Properties

Compound NameN-(trifluoromethylcarbamoyl)prop-2-enamide
PubChem CID22568336
Molecular FormulaC5H5F3N2O2
Molecular Weight182.10 g/mol
Exact Mass182.03
IUPAC NameN-(trifluoromethylcarbamoyl)prop-2-enamide
SMILESC=CC(=O)NC(=O)NC(F)(F)F
InChIInChI=1S/C5H5F3N2O2/c1-2-3(11)9-4(12)10-5(6,7)8/h2H,1H2,(H2,9,10,11,12)
InChIKeyWKKIATOBPUDYLM-UHFFFAOYSA-N
XLogP0.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.10
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethylcarbamoyl)prop-2-enamide?
The IUPAC name of N-(trifluoromethylcarbamoyl)prop-2-enamide (CID 22568336) is N-(trifluoromethylcarbamoyl)prop-2-enamide.
What is the SMILES notation for N-(trifluoromethylcarbamoyl)prop-2-enamide?
The canonical SMILES for N-(trifluoromethylcarbamoyl)prop-2-enamide is C=CC(=O)NC(=O)NC(F)(F)F.
What is the InChIKey of N-(trifluoromethylcarbamoyl)prop-2-enamide?
The InChIKey is WKKIATOBPUDYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O2/c1-2-3(11)9-4(12)10-5(6,7)8/h2H,1H2,(H2,9,10,11,12).
What are the key properties of N-(trifluoromethylcarbamoyl)prop-2-enamide?
N-(trifluoromethylcarbamoyl)prop-2-enamide has a molecular weight of 182.10 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylcarbamoyl)prop-2-enamide is sourced from PubChem (CID 22568336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).