(2Z)-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide

C8H10F3NO2 — CID 147564539

IUPAC(2Z)-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide
SMILESC=C/C(=C/C(=O)NCC(F)(F)F)OC
InChIInChI=1S/C8H10F3NO2/c1-3-6(14-2)4-7(13)12-5-8(9,10)11/h3-4H,1,5H2,2H3,(H,12,13)/b6-4-
InChIKeyFTHNKFVUFRQXSU-XQRVVYSFSA-N
MW209.17 g/mol
LogP1.38
Rot. Bonds4

About (2Z)-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide

(2Z)-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide (PubChem CID 147564539) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is (2Z)-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide
PubChem CID147564539
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name(2Z)-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide
SMILESC=C/C(=C/C(=O)NCC(F)(F)F)OC
InChIInChI=1S/C8H10F3NO2/c1-3-6(14-2)4-7(13)12-5-8(9,10)11/h3-4H,1,5H2,2H3,(H,12,13)/b6-4-
InChIKeyFTHNKFVUFRQXSU-XQRVVYSFSA-N
XLogP1.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 (2Z)-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide?
The IUPAC name of (2Z)-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide (CID 147564539) is (2Z)-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide.
What is the SMILES notation for (2Z)-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide?
The canonical SMILES for (2Z)-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide is C=C/C(=C/C(=O)NCC(F)(F)F)OC.
What is the InChIKey of (2Z)-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide?
The InChIKey is FTHNKFVUFRQXSU-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H10F3NO2/c1-3-6(14-2)4-7(13)12-5-8(9,10)11/h3-4H,1,5H2,2H3,(H,12,13)/b6-4-.
What are the key properties of (2Z)-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide?
(2Z)-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide has a molecular weight of 209.17 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide is sourced from PubChem (CID 147564539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).