[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]selanylbenzene

C11H11F3OSe — CID 10851368

IUPAC[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]selanylbenzene
SMILESCCO/C(=C/[Se]c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3OSe/c1-2-15-10(11(12,13)14)8-16-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+
InChIKeyBJDISIFKXFCPQN-CSKARUKUSA-N
MW295.16 g/mol
LogP2.46
Rot. Bonds4

About [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]selanylbenzene

[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]selanylbenzene (PubChem CID 10851368) has the molecular formula C11H11F3OSe and a molecular weight of 295.16 g/mol. Its IUPAC name is [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]selanylbenzene.

Molecular Properties

Compound Name[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]selanylbenzene
PubChem CID10851368
Molecular FormulaC11H11F3OSe
Molecular Weight295.16 g/mol
Exact Mass295.99
IUPAC Name[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]selanylbenzene
SMILESCCO/C(=C/[Se]c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3OSe/c1-2-15-10(11(12,13)14)8-16-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+
InChIKeyBJDISIFKXFCPQN-CSKARUKUSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]selanylbenzene 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 [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]selanylbenzene?
The IUPAC name of [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]selanylbenzene (CID 10851368) is [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]selanylbenzene.
What is the SMILES notation for [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]selanylbenzene?
The canonical SMILES for [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]selanylbenzene is CCO/C(=C/[Se]c1ccccc1)C(F)(F)F.
What is the InChIKey of [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]selanylbenzene?
The InChIKey is BJDISIFKXFCPQN-CSKARUKUSA-N. The full InChI is InChI=1S/C11H11F3OSe/c1-2-15-10(11(12,13)14)8-16-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+.
What are the key properties of [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]selanylbenzene?
[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]selanylbenzene has a molecular weight of 295.16 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]selanylbenzene is sourced from PubChem (CID 10851368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).