(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one

C10H6F5NO2 — CID 162675439

IUPAC(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one
SMILESO=C(/C=C(\O)c1ccncc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F5NO2/c11-9(12,10(13,14)15)8(18)5-7(17)6-1-3-16-4-2-6/h1-5,17H/b7-5-
InChIKeyBMTTUJOVACXYGM-ALCCZGGFSA-N
MW267.15 g/mol
LogP2.75
Rot. Bonds3

About (Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one

(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one (PubChem CID 162675439) has the molecular formula C10H6F5NO2 and a molecular weight of 267.15 g/mol. Its IUPAC name is (Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one.

Molecular Properties

Compound Name(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one
PubChem CID162675439
Molecular FormulaC10H6F5NO2
Molecular Weight267.15 g/mol
Exact Mass267.03
IUPAC Name(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one
SMILESO=C(/C=C(\O)c1ccncc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F5NO2/c11-9(12,10(13,14)15)8(18)5-7(17)6-1-3-16-4-2-6/h1-5,17H/b7-5-
InChIKeyBMTTUJOVACXYGM-ALCCZGGFSA-N
XLogP2.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one?
The IUPAC name of (Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one (CID 162675439) is (Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one.
What is the SMILES notation for (Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one?
The canonical SMILES for (Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one is O=C(/C=C(\O)c1ccncc1)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one?
The InChIKey is BMTTUJOVACXYGM-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H6F5NO2/c11-9(12,10(13,14)15)8(18)5-7(17)6-1-3-16-4-2-6/h1-5,17H/b7-5-.
What are the key properties of (Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one?
(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one has a molecular weight of 267.15 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one is sourced from PubChem (CID 162675439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).