[1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene

C13H11F3O — CID 139250875

IUPAC[1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene
SMILESC#CCOC(C(=C)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H11F3O/c1-3-9-17-12(10(2)13(14,15)16)11-7-5-4-6-8-11/h1,4-8,12H,2,9H2
InChIKeyYWTYCUSYONZSHG-UHFFFAOYSA-N
MW240.22 g/mol
LogP3.50
Rot. Bonds4

About [1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene

[1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene (PubChem CID 139250875) has the molecular formula C13H11F3O and a molecular weight of 240.22 g/mol. Its IUPAC name is [1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene.

Molecular Properties

Compound Name[1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene
PubChem CID139250875
Molecular FormulaC13H11F3O
Molecular Weight240.22 g/mol
Exact Mass240.08
IUPAC Name[1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene
SMILESC#CCOC(C(=C)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H11F3O/c1-3-9-17-12(10(2)13(14,15)16)11-7-5-4-6-8-11/h1,4-8,12H,2,9H2
InChIKeyYWTYCUSYONZSHG-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene 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 [1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene?
The IUPAC name of [1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene (CID 139250875) is [1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene.
What is the SMILES notation for [1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene?
The canonical SMILES for [1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene is C#CCOC(C(=C)C(F)(F)F)c1ccccc1.
What is the InChIKey of [1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene?
The InChIKey is YWTYCUSYONZSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O/c1-3-9-17-12(10(2)13(14,15)16)11-7-5-4-6-8-11/h1,4-8,12H,2,9H2.
What are the key properties of [1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene?
[1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene has a molecular weight of 240.22 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-prop-2-ynoxy-2-(trifluoromethyl)prop-2-enyl]benzene is sourced from PubChem (CID 139250875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).