(E)-N-hydroxy-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

C10H8F3NO2 — CID 53374826

IUPAC(E)-N-hydroxy-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)NO
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
InChIKeyABKAFUZUCJSIKV-ZZXKWVIFSA-N
MW231.17 g/mol
LogP2.22
Rot. Bonds2

About (E)-N-hydroxy-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 53374826) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID53374826
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name(E)-N-hydroxy-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)NO
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+
InChIKeyABKAFUZUCJSIKV-ZZXKWVIFSA-N
XLogP2.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-hydroxy-3-[4-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 53374826) is (E)-N-hydroxy-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(C(F)(F)F)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is ABKAFUZUCJSIKV-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(15)14-16/h1-6,16H,(H,14,15)/b6-3+.
What are the key properties of (E)-N-hydroxy-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 231.17 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 53374826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).