(2Z)-4-fluoro-2-(1-fluoroethenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one

C12H15F2NO — CID 142320999

IUPAC(2Z)-4-fluoro-2-(1-fluoroethenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
SMILESC=C(F)/C=C(\C(=C)F)C(=O)N1CCCCC1
InChIInChI=1S/C12H15F2NO/c1-9(13)8-11(10(2)14)12(16)15-6-4-3-5-7-15/h8H,1-7H2/b11-8+
InChIKeyWVWJOHWJBUXQQD-DHZHZOJOSA-N
MW227.25 g/mol
LogP2.89
Rot. Bonds3

About (2Z)-4-fluoro-2-(1-fluoroethenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one

(2Z)-4-fluoro-2-(1-fluoroethenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one (PubChem CID 142320999) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is (2Z)-4-fluoro-2-(1-fluoroethenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2Z)-4-fluoro-2-(1-fluoroethenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
PubChem CID142320999
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name(2Z)-4-fluoro-2-(1-fluoroethenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
SMILESC=C(F)/C=C(\C(=C)F)C(=O)N1CCCCC1
InChIInChI=1S/C12H15F2NO/c1-9(13)8-11(10(2)14)12(16)15-6-4-3-5-7-15/h8H,1-7H2/b11-8+
InChIKeyWVWJOHWJBUXQQD-DHZHZOJOSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-fluoro-2-(1-fluoroethenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one?
The IUPAC name of (2Z)-4-fluoro-2-(1-fluoroethenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one (CID 142320999) is (2Z)-4-fluoro-2-(1-fluoroethenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one.
What is the SMILES notation for (2Z)-4-fluoro-2-(1-fluoroethenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one?
The canonical SMILES for (2Z)-4-fluoro-2-(1-fluoroethenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one is C=C(F)/C=C(\C(=C)F)C(=O)N1CCCCC1.
What is the InChIKey of (2Z)-4-fluoro-2-(1-fluoroethenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one?
The InChIKey is WVWJOHWJBUXQQD-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-9(13)8-11(10(2)14)12(16)15-6-4-3-5-7-15/h8H,1-7H2/b11-8+.
What are the key properties of (2Z)-4-fluoro-2-(1-fluoroethenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one?
(2Z)-4-fluoro-2-(1-fluoroethenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one has a molecular weight of 227.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-fluoro-2-(1-fluoroethenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one is sourced from PubChem (CID 142320999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).