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

C5H5F3O2 — CID 5363864

IUPAC(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
SMILESCC(=O)/C=C(\O)C(F)(F)F
InChIInChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2,10H,1H3/b4-2-
InChIKeyHZWABPCDJWBJSC-RQOWECAXSA-N
MW154.09 g/mol
LogP1.58
Rot. Bonds1

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

(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one (PubChem CID 5363864) has the molecular formula C5H5F3O2 and a molecular weight of 154.09 g/mol. Its IUPAC name is (Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
PubChem CID5363864
Molecular FormulaC5H5F3O2
Molecular Weight154.09 g/mol
Exact Mass154.02
IUPAC Name(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
SMILESCC(=O)/C=C(\O)C(F)(F)F
InChIInChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2,10H,1H3/b4-2-
InChIKeyHZWABPCDJWBJSC-RQOWECAXSA-N
XLogP1.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 51.58
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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CID 71310203
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CID 162394304
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Frequently Asked Questions

What is the IUPAC name of (Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one?
The IUPAC name of (Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one (CID 5363864) is (Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one.
What is the SMILES notation for (Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one?
The canonical SMILES for (Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one is CC(=O)/C=C(\O)C(F)(F)F.
What is the InChIKey of (Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one?
The InChIKey is HZWABPCDJWBJSC-RQOWECAXSA-N. The full InChI is InChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2,10H,1H3/b4-2-.
What are the key properties of (Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one?
(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one has a molecular weight of 154.09 g/mol, XLogP of 1.58, 1 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-hydroxypent-3-en-2-one is sourced from PubChem (CID 5363864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).