(2,2,2-trifluoro-1-phenylselanylethyl) acetate

C10H9F3O2Se — CID 10424685

IUPAC(2,2,2-trifluoro-1-phenylselanylethyl) acetate
SMILESCC(=O)OC([Se]c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3O2Se/c1-7(14)15-9(10(11,12)13)16-8-5-3-2-4-6-8/h2-6,9H,1H3
InChIKeyLQNKXEXYRBAAFP-UHFFFAOYSA-N
MW297.13 g/mol
LogP1.47
Rot. Bonds3

About (2,2,2-trifluoro-1-phenylselanylethyl) acetate

(2,2,2-trifluoro-1-phenylselanylethyl) acetate (PubChem CID 10424685) has the molecular formula C10H9F3O2Se and a molecular weight of 297.13 g/mol. Its IUPAC name is (2,2,2-trifluoro-1-phenylselanylethyl) acetate.

Molecular Properties

Compound Name(2,2,2-trifluoro-1-phenylselanylethyl) acetate
PubChem CID10424685
Molecular FormulaC10H9F3O2Se
Molecular Weight297.13 g/mol
Exact Mass297.97
IUPAC Name(2,2,2-trifluoro-1-phenylselanylethyl) acetate
SMILESCC(=O)OC([Se]c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3O2Se/c1-7(14)15-9(10(11,12)13)16-8-5-3-2-4-6-8/h2-6,9H,1H3
InChIKeyLQNKXEXYRBAAFP-UHFFFAOYSA-N
XLogP1.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,2,2-trifluoro-1-phenylselanylethyl) acetate 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 (2,2,2-trifluoro-1-phenylselanylethyl) acetate?
The IUPAC name of (2,2,2-trifluoro-1-phenylselanylethyl) acetate (CID 10424685) is (2,2,2-trifluoro-1-phenylselanylethyl) acetate.
What is the SMILES notation for (2,2,2-trifluoro-1-phenylselanylethyl) acetate?
The canonical SMILES for (2,2,2-trifluoro-1-phenylselanylethyl) acetate is CC(=O)OC([Se]c1ccccc1)C(F)(F)F.
What is the InChIKey of (2,2,2-trifluoro-1-phenylselanylethyl) acetate?
The InChIKey is LQNKXEXYRBAAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2Se/c1-7(14)15-9(10(11,12)13)16-8-5-3-2-4-6-8/h2-6,9H,1H3.
What are the key properties of (2,2,2-trifluoro-1-phenylselanylethyl) acetate?
(2,2,2-trifluoro-1-phenylselanylethyl) acetate has a molecular weight of 297.13 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-trifluoro-1-phenylselanylethyl) acetate is sourced from PubChem (CID 10424685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).