N-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide

C10H12F3NO2 — CID 142837212

IUPACN-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide
SMILESC=C/C=C(\C=C/COC(F)(F)F)CNC=O
InChIInChI=1S/C10H12F3NO2/c1-2-4-9(7-14-8-15)5-3-6-16-10(11,12)13/h2-5,8H,1,6-7H2,(H,14,15)/b5-3-,9-4+
InChIKeyJXJPBZOUFROYTL-LWUTYWFWSA-N
MW235.20 g/mol
LogP1.94
Rot. Bonds7

About N-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide

N-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide (PubChem CID 142837212) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is N-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide.

Molecular Properties

Compound NameN-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide
PubChem CID142837212
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC NameN-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide
SMILESC=C/C=C(\C=C/COC(F)(F)F)CNC=O
InChIInChI=1S/C10H12F3NO2/c1-2-4-9(7-14-8-15)5-3-6-16-10(11,12)13/h2-5,8H,1,6-7H2,(H,14,15)/b5-3-,9-4+
InChIKeyJXJPBZOUFROYTL-LWUTYWFWSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide?
The IUPAC name of N-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide (CID 142837212) is N-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide.
What is the SMILES notation for N-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide?
The canonical SMILES for N-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide is C=C/C=C(\C=C/COC(F)(F)F)CNC=O.
What is the InChIKey of N-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide?
The InChIKey is JXJPBZOUFROYTL-LWUTYWFWSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-2-4-9(7-14-8-15)5-3-6-16-10(11,12)13/h2-5,8H,1,6-7H2,(H,14,15)/b5-3-,9-4+.
What are the key properties of N-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide?
N-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide has a molecular weight of 235.20 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-[(Z)-3-(trifluoromethoxy)prop-1-enyl]penta-2,4-dienyl]formamide is sourced from PubChem (CID 142837212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).