3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide

C11H8F3NO2 — CID 169482522

IUPAC3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)10(17)8-4-1-7(2-5-8)3-6-9(15)16/h1-6H,(H2,15,16)
InChIKeyKWIAIXSVFLJJCH-UHFFFAOYSA-N
MW243.18 g/mol
LogP1.93
Rot. Bonds3

About 3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide

3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide (PubChem CID 169482522) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide
PubChem CID169482522
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide
SMILESNC(=O)C=Cc1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)10(17)8-4-1-7(2-5-8)3-6-9(15)16/h1-6H,(H2,15,16)
InChIKeyKWIAIXSVFLJJCH-UHFFFAOYSA-N
XLogP1.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
1-[4-(3-chloroprop-1-enyl)phenyl]-2,2,2-trifluoroethanone
CID 169478110
acetic acid;3-(4-acetylphenyl)prop-2-enamide
CID 175181173
(E)-3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169482234
(E)-3-(4-tert-butylphenyl)prop-2-enamide
CID 47130646
methyl 4-[(E)-3-amino-3-oxoprop-1-enyl]benzoate
CID 82040602
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
CID 88913216
CID 88913216
(E)-3-(4-ethylphenyl)prop-2-enamide
CID 19347567
1-[4-(4-azidobut-1-enyl)phenyl]-2,2,2-trifluoroethanone
CID 170486101
2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone
CID 15580662
ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 142207666

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide?
The IUPAC name of 3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide (CID 169482522) is 3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide is NC(=O)C=Cc1ccc(C(=O)C(F)(F)F)cc1.
What is the InChIKey of 3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide?
The InChIKey is KWIAIXSVFLJJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c12-11(13,14)10(17)8-4-1-7(2-5-8)3-6-9(15)16/h1-6H,(H2,15,16).
What are the key properties of 3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide?
3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide has a molecular weight of 243.18 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide is sourced from PubChem (CID 169482522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).