(Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one

C10H8F3NO — CID 5376101

IUPAC(Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one
SMILESN/C(=C\C(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H8F3NO/c11-10(12,13)9(14)6-8(15)7-4-2-1-3-5-7/h1-6H,14H2/b9-6-
InChIKeyTUUKLDIAZOOYSM-TWGQIWQCSA-N
MW215.17 g/mol
LogP2.27
Rot. Bonds2

About (Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one

(Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one (PubChem CID 5376101) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is (Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one
PubChem CID5376101
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name(Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one
SMILESN/C(=C\C(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H8F3NO/c11-10(12,13)9(14)6-8(15)7-4-2-1-3-5-7/h1-6H,14H2/b9-6-
InChIKeyTUUKLDIAZOOYSM-TWGQIWQCSA-N
XLogP2.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one 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 (Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one?
The IUPAC name of (Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one (CID 5376101) is (Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one.
What is the SMILES notation for (Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one?
The canonical SMILES for (Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one is N/C(=C\C(=O)c1ccccc1)C(F)(F)F.
What is the InChIKey of (Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one?
The InChIKey is TUUKLDIAZOOYSM-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)9(14)6-8(15)7-4-2-1-3-5-7/h1-6H,14H2/b9-6-.
What are the key properties of (Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one?
(Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one has a molecular weight of 215.17 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one is sourced from PubChem (CID 5376101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).