[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(dipyridin-4-ylamino)-2-oxoacetate

C16H11F4N3O3 — CID 139567700

IUPAC[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(dipyridin-4-ylamino)-2-oxoacetate
SMILESO=C(OC/C=C(\F)C(F)(F)F)C(=O)N(c1ccncc1)c1ccncc1
InChIInChI=1S/C16H11F4N3O3/c17-13(16(18,19)20)5-10-26-15(25)14(24)23(11-1-6-21-7-2-11)12-3-8-22-9-4-12/h1-9H,10H2/b13-5-
InChIKeyGQPBRAJJVWWTDE-ACAGNQJTSA-N
MW369.27 g/mol
LogP3.10
Rot. Bonds4

About [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(dipyridin-4-ylamino)-2-oxoacetate

[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(dipyridin-4-ylamino)-2-oxoacetate (PubChem CID 139567700) has the molecular formula C16H11F4N3O3 and a molecular weight of 369.27 g/mol. Its IUPAC name is [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(dipyridin-4-ylamino)-2-oxoacetate.

Molecular Properties

Compound Name[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(dipyridin-4-ylamino)-2-oxoacetate
PubChem CID139567700
Molecular FormulaC16H11F4N3O3
Molecular Weight369.27 g/mol
Exact Mass369.07
IUPAC Name[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(dipyridin-4-ylamino)-2-oxoacetate
SMILESO=C(OC/C=C(\F)C(F)(F)F)C(=O)N(c1ccncc1)c1ccncc1
InChIInChI=1S/C16H11F4N3O3/c17-13(16(18,19)20)5-10-26-15(25)14(24)23(11-1-6-21-7-2-11)12-3-8-22-9-4-12/h1-9H,10H2/b13-5-
InChIKeyGQPBRAJJVWWTDE-ACAGNQJTSA-N
XLogP3.10
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(dipyridin-4-ylamino)-2-oxoacetate?
The IUPAC name of [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(dipyridin-4-ylamino)-2-oxoacetate (CID 139567700) is [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(dipyridin-4-ylamino)-2-oxoacetate.
What is the SMILES notation for [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(dipyridin-4-ylamino)-2-oxoacetate?
The canonical SMILES for [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(dipyridin-4-ylamino)-2-oxoacetate is O=C(OC/C=C(\F)C(F)(F)F)C(=O)N(c1ccncc1)c1ccncc1.
What is the InChIKey of [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(dipyridin-4-ylamino)-2-oxoacetate?
The InChIKey is GQPBRAJJVWWTDE-ACAGNQJTSA-N. The full InChI is InChI=1S/C16H11F4N3O3/c17-13(16(18,19)20)5-10-26-15(25)14(24)23(11-1-6-21-7-2-11)12-3-8-22-9-4-12/h1-9H,10H2/b13-5-.
What are the key properties of [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(dipyridin-4-ylamino)-2-oxoacetate?
[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(dipyridin-4-ylamino)-2-oxoacetate has a molecular weight of 369.27 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-(dipyridin-4-ylamino)-2-oxoacetate is sourced from PubChem (CID 139567700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).