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

C9H12F3NO2 — CID 170259934

IUPAC(2Z)-3-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide
SMILESC=C/C(OC)=C(\C)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H12F3NO2/c1-4-7(15-3)6(2)8(14)13-5-9(10,11)12/h4H,1,5H2,2-3H3,(H,13,14)/b7-6-
InChIKeyLOOZQVBHSBMMCP-SREVYHEPSA-N
MW223.19 g/mol
LogP1.77
Rot. Bonds4

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

(2Z)-3-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide (PubChem CID 170259934) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is (2Z)-3-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-3-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide
PubChem CID170259934
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name(2Z)-3-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide
SMILESC=C/C(OC)=C(\C)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H12F3NO2/c1-4-7(15-3)6(2)8(14)13-5-9(10,11)12/h4H,1,5H2,2-3H3,(H,13,14)/b7-6-
InChIKeyLOOZQVBHSBMMCP-SREVYHEPSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.77
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-2-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide?
The IUPAC name of (2Z)-3-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide (CID 170259934) is (2Z)-3-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide.
What is the SMILES notation for (2Z)-3-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide?
The canonical SMILES for (2Z)-3-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide is C=C/C(OC)=C(\C)C(=O)NCC(F)(F)F.
What is the InChIKey of (2Z)-3-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide?
The InChIKey is LOOZQVBHSBMMCP-SREVYHEPSA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-4-7(15-3)6(2)8(14)13-5-9(10,11)12/h4H,1,5H2,2-3H3,(H,13,14)/b7-6-.
What are the key properties of (2Z)-3-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide?
(2Z)-3-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide has a molecular weight of 223.19 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide is sourced from PubChem (CID 170259934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).