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

C14H8F5NO2 — CID 162672304

IUPAC(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-quinolin-3-ylpent-1-en-3-one
SMILESO=C(/C=C(\O)c1cnc2ccccc2c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H8F5NO2/c15-13(16,14(17,18)19)12(22)6-11(21)9-5-8-3-1-2-4-10(8)20-7-9/h1-7,21H/b11-6-
InChIKeyGPAPXURZEBKDGD-WDZFZDKYSA-N
MW317.21 g/mol
LogP3.90
Rot. Bonds3

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

(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-quinolin-3-ylpent-1-en-3-one (PubChem CID 162672304) has the molecular formula C14H8F5NO2 and a molecular weight of 317.21 g/mol. Its IUPAC name is (Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-quinolin-3-ylpent-1-en-3-one.

Molecular Properties

Compound Name(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-quinolin-3-ylpent-1-en-3-one
PubChem CID162672304
Molecular FormulaC14H8F5NO2
Molecular Weight317.21 g/mol
Exact Mass317.05
IUPAC Name(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-quinolin-3-ylpent-1-en-3-one
SMILESO=C(/C=C(\O)c1cnc2ccccc2c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H8F5NO2/c15-13(16,14(17,18)19)12(22)6-11(21)9-5-8-3-1-2-4-10(8)20-7-9/h1-7,21H/b11-6-
InChIKeyGPAPXURZEBKDGD-WDZFZDKYSA-N
XLogP3.90
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 53.90
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-quinolin-3-ylpent-1-en-3-one?
The IUPAC name of (Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-quinolin-3-ylpent-1-en-3-one (CID 162672304) is (Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-quinolin-3-ylpent-1-en-3-one.
What is the SMILES notation for (Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-quinolin-3-ylpent-1-en-3-one?
The canonical SMILES for (Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-quinolin-3-ylpent-1-en-3-one is O=C(/C=C(\O)c1cnc2ccccc2c1)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-quinolin-3-ylpent-1-en-3-one?
The InChIKey is GPAPXURZEBKDGD-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H8F5NO2/c15-13(16,14(17,18)19)12(22)6-11(21)9-5-8-3-1-2-4-10(8)20-7-9/h1-7,21H/b11-6-.
What are the key properties of (Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-quinolin-3-ylpent-1-en-3-one?
(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-quinolin-3-ylpent-1-en-3-one has a molecular weight of 317.21 g/mol, XLogP of 3.90, 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-quinolin-3-ylpent-1-en-3-one is sourced from PubChem (CID 162672304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).