(2E,4E)-N-(2-fluoropropyl)-9-hydroxynona-2,4-dienamide

C12H20FNO2 — CID 156513466

IUPAC(2E,4E)-N-(2-fluoropropyl)-9-hydroxynona-2,4-dienamide
SMILESCC(F)CNC(=O)/C=C/C=C/CCCCO
InChIInChI=1S/C12H20FNO2/c1-11(13)10-14-12(16)8-6-4-2-3-5-7-9-15/h2,4,6,8,11,15H,3,5,7,9-10H2,1H3,(H,14,16)/b4-2+,8-6+
InChIKeyWORHVRXBHYYMDR-REBBJWOHSA-N
MW229.30 g/mol
LogP1.74
Rot. Bonds8

About (2E,4E)-N-(2-fluoropropyl)-9-hydroxynona-2,4-dienamide

(2E,4E)-N-(2-fluoropropyl)-9-hydroxynona-2,4-dienamide (PubChem CID 156513466) has the molecular formula C12H20FNO2 and a molecular weight of 229.30 g/mol. Its IUPAC name is (2E,4E)-N-(2-fluoropropyl)-9-hydroxynona-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-fluoropropyl)-9-hydroxynona-2,4-dienamide
PubChem CID156513466
Molecular FormulaC12H20FNO2
Molecular Weight229.30 g/mol
Exact Mass229.15
IUPAC Name(2E,4E)-N-(2-fluoropropyl)-9-hydroxynona-2,4-dienamide
SMILESCC(F)CNC(=O)/C=C/C=C/CCCCO
InChIInChI=1S/C12H20FNO2/c1-11(13)10-14-12(16)8-6-4-2-3-5-7-9-15/h2,4,6,8,11,15H,3,5,7,9-10H2,1H3,(H,14,16)/b4-2+,8-6+
InChIKeyWORHVRXBHYYMDR-REBBJWOHSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2E,4E)-N-(2-fluoropropyl)-9-hydroxynona-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-fluoropropyl)-9-hydroxynona-2,4-dienamide (CID 156513466) is (2E,4E)-N-(2-fluoropropyl)-9-hydroxynona-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-fluoropropyl)-9-hydroxynona-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-fluoropropyl)-9-hydroxynona-2,4-dienamide is CC(F)CNC(=O)/C=C/C=C/CCCCO.
What is the InChIKey of (2E,4E)-N-(2-fluoropropyl)-9-hydroxynona-2,4-dienamide?
The InChIKey is WORHVRXBHYYMDR-REBBJWOHSA-N. The full InChI is InChI=1S/C12H20FNO2/c1-11(13)10-14-12(16)8-6-4-2-3-5-7-9-15/h2,4,6,8,11,15H,3,5,7,9-10H2,1H3,(H,14,16)/b4-2+,8-6+.
What are the key properties of (2E,4E)-N-(2-fluoropropyl)-9-hydroxynona-2,4-dienamide?
(2E,4E)-N-(2-fluoropropyl)-9-hydroxynona-2,4-dienamide has a molecular weight of 229.30 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-fluoropropyl)-9-hydroxynona-2,4-dienamide is sourced from PubChem (CID 156513466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).