(2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide

C11H16FNO — CID 177348094

IUPAC(2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide
SMILESC=C/C(C)=C(F)\C(=C/C)C(=O)N(C)C
InChIInChI=1S/C11H16FNO/c1-6-8(3)10(12)9(7-2)11(14)13(4)5/h6-7H,1H2,2-5H3/b9-7+,10-8+
InChIKeyTUKXTZZBOGFCGZ-FIFLTTCUSA-N
MW197.25 g/mol
LogP2.45
Rot. Bonds3

About (2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide

(2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide (PubChem CID 177348094) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide.

Molecular Properties

Compound Name(2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide
PubChem CID177348094
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide
SMILESC=C/C(C)=C(F)\C(=C/C)C(=O)N(C)C
InChIInChI=1S/C11H16FNO/c1-6-8(3)10(12)9(7-2)11(14)13(4)5/h6-7H,1H2,2-5H3/b9-7+,10-8+
InChIKeyTUKXTZZBOGFCGZ-FIFLTTCUSA-N
XLogP2.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.45
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 (2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide?
The IUPAC name of (2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide (CID 177348094) is (2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide.
What is the SMILES notation for (2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide?
The canonical SMILES for (2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide is C=C/C(C)=C(F)\C(=C/C)C(=O)N(C)C.
What is the InChIKey of (2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide?
The InChIKey is TUKXTZZBOGFCGZ-FIFLTTCUSA-N. The full InChI is InChI=1S/C11H16FNO/c1-6-8(3)10(12)9(7-2)11(14)13(4)5/h6-7H,1H2,2-5H3/b9-7+,10-8+.
What are the key properties of (2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide?
(2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide has a molecular weight of 197.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-2-ethylidene-3-fluoro-N,N,4-trimethylhexa-3,5-dienamide is sourced from PubChem (CID 177348094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).