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

C10H14F3NO2 — CID 170260337

IUPAC(2Z)-2-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide
SMILESC=C/C(OC)=C(\CC)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H14F3NO2/c1-4-7(8(5-2)16-3)9(15)14-6-10(11,12)13/h5H,2,4,6H2,1,3H3,(H,14,15)/b8-7-
InChIKeyJTEFVVBJIVRKIM-FPLPWBNLSA-N
MW237.22 g/mol
LogP2.16
Rot. Bonds5

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

(2Z)-2-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide (PubChem CID 170260337) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is (2Z)-2-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-2-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide
PubChem CID170260337
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name(2Z)-2-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide
SMILESC=C/C(OC)=C(\CC)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H14F3NO2/c1-4-7(8(5-2)16-3)9(15)14-6-10(11,12)13/h5H,2,4,6H2,1,3H3,(H,14,15)/b8-7-
InChIKeyJTEFVVBJIVRKIM-FPLPWBNLSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.16
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)-2-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide?
The IUPAC name of (2Z)-2-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide (CID 170260337) is (2Z)-2-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide.
What is the SMILES notation for (2Z)-2-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide?
The canonical SMILES for (2Z)-2-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide is C=C/C(OC)=C(\CC)C(=O)NCC(F)(F)F.
What is the InChIKey of (2Z)-2-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide?
The InChIKey is JTEFVVBJIVRKIM-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H14F3NO2/c1-4-7(8(5-2)16-3)9(15)14-6-10(11,12)13/h5H,2,4,6H2,1,3H3,(H,14,15)/b8-7-.
What are the key properties of (2Z)-2-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide?
(2Z)-2-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide has a molecular weight of 237.22 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethyl-3-methoxy-N-(2,2,2-trifluoroethyl)penta-2,4-dienamide is sourced from PubChem (CID 170260337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).