(2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide

C13H18FNO — CID 143348564

IUPAC(2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide
SMILESC=C/C=C(\C/C=C\C(=C)F)C(=O)N(C)CC
InChIInChI=1S/C13H18FNO/c1-5-8-12(10-7-9-11(3)14)13(16)15(4)6-2/h5,7-9H,1,3,6,10H2,2,4H3/b9-7-,12-8+
InChIKeyGQXNPUVBFVRGHB-ZUQSVMQASA-N
MW223.29 g/mol
LogP3.01
Rot. Bonds6

About (2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide

(2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide (PubChem CID 143348564) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide.

Molecular Properties

Compound Name(2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide
PubChem CID143348564
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide
SMILESC=C/C=C(\C/C=C\C(=C)F)C(=O)N(C)CC
InChIInChI=1S/C13H18FNO/c1-5-8-12(10-7-9-11(3)14)13(16)15(4)6-2/h5,7-9H,1,3,6,10H2,2,4H3/b9-7-,12-8+
InChIKeyGQXNPUVBFVRGHB-ZUQSVMQASA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide?
The IUPAC name of (2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide (CID 143348564) is (2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide.
What is the SMILES notation for (2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide?
The canonical SMILES for (2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide is C=C/C=C(\C/C=C\C(=C)F)C(=O)N(C)CC.
What is the InChIKey of (2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide?
The InChIKey is GQXNPUVBFVRGHB-ZUQSVMQASA-N. The full InChI is InChI=1S/C13H18FNO/c1-5-8-12(10-7-9-11(3)14)13(16)15(4)6-2/h5,7-9H,1,3,6,10H2,2,4H3/b9-7-,12-8+.
What are the key properties of (2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide?
(2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide has a molecular weight of 223.29 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide is sourced from PubChem (CID 143348564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).