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

C17H24FNO2 — CID 170064665

IUPAC3-[(3Z,5E,8Z)-7-fluoro-2,7-dimethyldeca-3,5,8-trien-5-yl]piperidine-2,6-dione
SMILESC/C=C\C(C)(F)/C=C(\C=C/C(C)C)C1CCC(=O)NC1=O
InChIInChI=1S/C17H24FNO2/c1-5-10-17(4,18)11-13(7-6-12(2)3)14-8-9-15(20)19-16(14)21/h5-7,10-12,14H,8-9H2,1-4H3,(H,19,20,21)/b7-6-,10-5-,13-11+
InChIKeyXCVRFBWJYHXFBM-AFFOWTIMSA-N
MW293.38 g/mol
LogP3.48
Rot. Bonds5

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

3-[(3Z,5E,8Z)-7-fluoro-2,7-dimethyldeca-3,5,8-trien-5-yl]piperidine-2,6-dione (PubChem CID 170064665) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 3-[(3Z,5E,8Z)-7-fluoro-2,7-dimethyldeca-3,5,8-trien-5-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3Z,5E,8Z)-7-fluoro-2,7-dimethyldeca-3,5,8-trien-5-yl]piperidine-2,6-dione
PubChem CID170064665
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name3-[(3Z,5E,8Z)-7-fluoro-2,7-dimethyldeca-3,5,8-trien-5-yl]piperidine-2,6-dione
SMILESC/C=C\C(C)(F)/C=C(\C=C/C(C)C)C1CCC(=O)NC1=O
InChIInChI=1S/C17H24FNO2/c1-5-10-17(4,18)11-13(7-6-12(2)3)14-8-9-15(20)19-16(14)21/h5-7,10-12,14H,8-9H2,1-4H3,(H,19,20,21)/b7-6-,10-5-,13-11+
InChIKeyXCVRFBWJYHXFBM-AFFOWTIMSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-[(3Z,5E,8Z)-7-fluoro-2,7-dimethyldeca-3,5,8-trien-5-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(3Z,5E,8Z)-7-fluoro-2,7-dimethyldeca-3,5,8-trien-5-yl]piperidine-2,6-dione (CID 170064665) is 3-[(3Z,5E,8Z)-7-fluoro-2,7-dimethyldeca-3,5,8-trien-5-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3Z,5E,8Z)-7-fluoro-2,7-dimethyldeca-3,5,8-trien-5-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(3Z,5E,8Z)-7-fluoro-2,7-dimethyldeca-3,5,8-trien-5-yl]piperidine-2,6-dione is C/C=C\C(C)(F)/C=C(\C=C/C(C)C)C1CCC(=O)NC1=O.
What is the InChIKey of 3-[(3Z,5E,8Z)-7-fluoro-2,7-dimethyldeca-3,5,8-trien-5-yl]piperidine-2,6-dione?
The InChIKey is XCVRFBWJYHXFBM-AFFOWTIMSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-5-10-17(4,18)11-13(7-6-12(2)3)14-8-9-15(20)19-16(14)21/h5-7,10-12,14H,8-9H2,1-4H3,(H,19,20,21)/b7-6-,10-5-,13-11+.
What are the key properties of 3-[(3Z,5E,8Z)-7-fluoro-2,7-dimethyldeca-3,5,8-trien-5-yl]piperidine-2,6-dione?
3-[(3Z,5E,8Z)-7-fluoro-2,7-dimethyldeca-3,5,8-trien-5-yl]piperidine-2,6-dione has a molecular weight of 293.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z,5E,8Z)-7-fluoro-2,7-dimethyldeca-3,5,8-trien-5-yl]piperidine-2,6-dione is sourced from PubChem (CID 170064665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).