(3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide

C11H16FNO2 — CID 167046842

IUPAC(3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide
SMILESC=C(/C=C\C(F)=C/CC)C(=O)NCCO
InChIInChI=1S/C11H16FNO2/c1-3-4-10(12)6-5-9(2)11(15)13-7-8-14/h4-6,14H,2-3,7-8H2,1H3,(H,13,15)/b6-5-,10-4+
InChIKeyNSAJNBIIIMGFMA-QYONPMAVSA-N
MW213.25 g/mol
LogP1.47
Rot. Bonds6

About (3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide

(3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide (PubChem CID 167046842) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is (3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide
PubChem CID167046842
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name(3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide
SMILESC=C(/C=C\C(F)=C/CC)C(=O)NCCO
InChIInChI=1S/C11H16FNO2/c1-3-4-10(12)6-5-9(2)11(15)13-7-8-14/h4-6,14H,2-3,7-8H2,1H3,(H,13,15)/b6-5-,10-4+
InChIKeyNSAJNBIIIMGFMA-QYONPMAVSA-N
XLogP1.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide?
The IUPAC name of (3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide (CID 167046842) is (3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide.
What is the SMILES notation for (3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide?
The canonical SMILES for (3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide is C=C(/C=C\C(F)=C/CC)C(=O)NCCO.
What is the InChIKey of (3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide?
The InChIKey is NSAJNBIIIMGFMA-QYONPMAVSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-3-4-10(12)6-5-9(2)11(15)13-7-8-14/h4-6,14H,2-3,7-8H2,1H3,(H,13,15)/b6-5-,10-4+.
What are the key properties of (3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide?
(3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide has a molecular weight of 213.25 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide is sourced from PubChem (CID 167046842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).