3-[(4Z,6Z)-5-fluoro-7,8-dimethylnona-4,6,8-trien-4-yl]piperidine-2,6-dione

C16H22FNO2 — CID 172616808

IUPAC3-[(4Z,6Z)-5-fluoro-7,8-dimethylnona-4,6,8-trien-4-yl]piperidine-2,6-dione
SMILESC=C(C)/C(C)=C\C(F)=C(/CCC)C1CCC(=O)NC1=O
InChIInChI=1S/C16H22FNO2/c1-5-6-12(14(17)9-11(4)10(2)3)13-7-8-15(19)18-16(13)20/h9,13H,2,5-8H2,1,3-4H3,(H,18,19,20)/b11-9-,14-12-
InChIKeyUVZSKDJPVTXVNO-YJKQCFOZSA-N
MW279.36 g/mol
LogP3.59
Rot. Bonds5

About 3-[(4Z,6Z)-5-fluoro-7,8-dimethylnona-4,6,8-trien-4-yl]piperidine-2,6-dione

3-[(4Z,6Z)-5-fluoro-7,8-dimethylnona-4,6,8-trien-4-yl]piperidine-2,6-dione (PubChem CID 172616808) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[(4Z,6Z)-5-fluoro-7,8-dimethylnona-4,6,8-trien-4-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4Z,6Z)-5-fluoro-7,8-dimethylnona-4,6,8-trien-4-yl]piperidine-2,6-dione
PubChem CID172616808
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name3-[(4Z,6Z)-5-fluoro-7,8-dimethylnona-4,6,8-trien-4-yl]piperidine-2,6-dione
SMILESC=C(C)/C(C)=C\C(F)=C(/CCC)C1CCC(=O)NC1=O
InChIInChI=1S/C16H22FNO2/c1-5-6-12(14(17)9-11(4)10(2)3)13-7-8-15(19)18-16(13)20/h9,13H,2,5-8H2,1,3-4H3,(H,18,19,20)/b11-9-,14-12-
InChIKeyUVZSKDJPVTXVNO-YJKQCFOZSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4Z,6Z)-5-fluoro-7,8-dimethylnona-4,6,8-trien-4-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(4Z,6Z)-5-fluoro-7,8-dimethylnona-4,6,8-trien-4-yl]piperidine-2,6-dione (CID 172616808) is 3-[(4Z,6Z)-5-fluoro-7,8-dimethylnona-4,6,8-trien-4-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(4Z,6Z)-5-fluoro-7,8-dimethylnona-4,6,8-trien-4-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(4Z,6Z)-5-fluoro-7,8-dimethylnona-4,6,8-trien-4-yl]piperidine-2,6-dione is C=C(C)/C(C)=C\C(F)=C(/CCC)C1CCC(=O)NC1=O.
What is the InChIKey of 3-[(4Z,6Z)-5-fluoro-7,8-dimethylnona-4,6,8-trien-4-yl]piperidine-2,6-dione?
The InChIKey is UVZSKDJPVTXVNO-YJKQCFOZSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-5-6-12(14(17)9-11(4)10(2)3)13-7-8-15(19)18-16(13)20/h9,13H,2,5-8H2,1,3-4H3,(H,18,19,20)/b11-9-,14-12-.
What are the key properties of 3-[(4Z,6Z)-5-fluoro-7,8-dimethylnona-4,6,8-trien-4-yl]piperidine-2,6-dione?
3-[(4Z,6Z)-5-fluoro-7,8-dimethylnona-4,6,8-trien-4-yl]piperidine-2,6-dione has a molecular weight of 279.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4Z,6Z)-5-fluoro-7,8-dimethylnona-4,6,8-trien-4-yl]piperidine-2,6-dione is sourced from PubChem (CID 172616808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).