(Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one

C11H9F3O2 — CID 10962887

IUPAC(Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one
SMILESCC(=O)/C(=C(\O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H9F3O2/c1-7(15)9(10(16)11(12,13)14)8-5-3-2-4-6-8/h2-6,16H,1H3/b10-9+
InChIKeyXECRJWDZVLCOPU-MDZDMXLPSA-N
MW230.19 g/mol
LogP3.11
Rot. Bonds2

About (Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one

(Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one (PubChem CID 10962887) has the molecular formula C11H9F3O2 and a molecular weight of 230.19 g/mol. Its IUPAC name is (Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one.

Molecular Properties

Compound Name(Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one
PubChem CID10962887
Molecular FormulaC11H9F3O2
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name(Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one
SMILESCC(=O)/C(=C(\O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H9F3O2/c1-7(15)9(10(16)11(12,13)14)8-5-3-2-4-6-8/h2-6,16H,1H3/b10-9+
InChIKeyXECRJWDZVLCOPU-MDZDMXLPSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one?
The IUPAC name of (Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one (CID 10962887) is (Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one.
What is the SMILES notation for (Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one?
The canonical SMILES for (Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one is CC(=O)/C(=C(\O)C(F)(F)F)c1ccccc1.
What is the InChIKey of (Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one?
The InChIKey is XECRJWDZVLCOPU-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H9F3O2/c1-7(15)9(10(16)11(12,13)14)8-5-3-2-4-6-8/h2-6,16H,1H3/b10-9+.
What are the key properties of (Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one?
(Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one has a molecular weight of 230.19 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one is sourced from PubChem (CID 10962887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).