3-[(Z)-3-fluorobut-2-en-2-yl]piperidine-2,6-dione

C9H12FNO2 — CID 177134704

IUPAC3-[(Z)-3-fluorobut-2-en-2-yl]piperidine-2,6-dione
SMILESC/C(F)=C(\C)C1CCC(=O)NC1=O
InChIInChI=1S/C9H12FNO2/c1-5(6(2)10)7-3-4-8(12)11-9(7)13/h7H,3-4H2,1-2H3,(H,11,12,13)/b6-5-
InChIKeyFHDFYXOYASIWFK-WAYWQWQTSA-N
MW185.20 g/mol
LogP1.30
Rot. Bonds1

About 3-[(Z)-3-fluorobut-2-en-2-yl]piperidine-2,6-dione

3-[(Z)-3-fluorobut-2-en-2-yl]piperidine-2,6-dione (PubChem CID 177134704) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 3-[(Z)-3-fluorobut-2-en-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(Z)-3-fluorobut-2-en-2-yl]piperidine-2,6-dione
PubChem CID177134704
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name3-[(Z)-3-fluorobut-2-en-2-yl]piperidine-2,6-dione
SMILESC/C(F)=C(\C)C1CCC(=O)NC1=O
InChIInChI=1S/C9H12FNO2/c1-5(6(2)10)7-3-4-8(12)11-9(7)13/h7H,3-4H2,1-2H3,(H,11,12,13)/b6-5-
InChIKeyFHDFYXOYASIWFK-WAYWQWQTSA-N
XLogP1.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-fluorobut-2-en-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(Z)-3-fluorobut-2-en-2-yl]piperidine-2,6-dione (CID 177134704) is 3-[(Z)-3-fluorobut-2-en-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(Z)-3-fluorobut-2-en-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(Z)-3-fluorobut-2-en-2-yl]piperidine-2,6-dione is C/C(F)=C(\C)C1CCC(=O)NC1=O.
What is the InChIKey of 3-[(Z)-3-fluorobut-2-en-2-yl]piperidine-2,6-dione?
The InChIKey is FHDFYXOYASIWFK-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-5(6(2)10)7-3-4-8(12)11-9(7)13/h7H,3-4H2,1-2H3,(H,11,12,13)/b6-5-.
What are the key properties of 3-[(Z)-3-fluorobut-2-en-2-yl]piperidine-2,6-dione?
3-[(Z)-3-fluorobut-2-en-2-yl]piperidine-2,6-dione has a molecular weight of 185.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-fluorobut-2-en-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 177134704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).