(E)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one

C5H3F5O2 — CID 141324925

IUPAC(E)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one
SMILESO=C(/C=C/O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F5O2/c6-4(7,5(8,9)10)3(12)1-2-11/h1-2,11H/b2-1+
InChIKeyNXWIYAPVLPZQIG-OWOJBTEDSA-N
MW190.07 g/mol
LogP1.82
Rot. Bonds2

About (E)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one

(E)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one (PubChem CID 141324925) has the molecular formula C5H3F5O2 and a molecular weight of 190.07 g/mol. Its IUPAC name is (E)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one.

Molecular Properties

Compound Name(E)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one
PubChem CID141324925
Molecular FormulaC5H3F5O2
Molecular Weight190.07 g/mol
Exact Mass190.01
IUPAC Name(E)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one
SMILESO=C(/C=C/O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F5O2/c6-4(7,5(8,9)10)3(12)1-2-11/h1-2,11H/b2-1+
InChIKeyNXWIYAPVLPZQIG-OWOJBTEDSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one?
The IUPAC name of (E)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one (CID 141324925) is (E)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one.
What is the SMILES notation for (E)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one?
The canonical SMILES for (E)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one is O=C(/C=C/O)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one?
The InChIKey is NXWIYAPVLPZQIG-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H3F5O2/c6-4(7,5(8,9)10)3(12)1-2-11/h1-2,11H/b2-1+.
What are the key properties of (E)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one?
(E)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one has a molecular weight of 190.07 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,5,5,5-pentafluoro-1-hydroxypent-1-en-3-one is sourced from PubChem (CID 141324925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).