(2-oxo-1,2-diphenylethyl) 2-fluorobenzoate

C21H15FO3 — CID 4160026

IUPAC(2-oxo-1,2-diphenylethyl) 2-fluorobenzoate
SMILESO=C(OC(C(=O)c1ccccc1)c1ccccc1)c1ccccc1F
InChIInChI=1S/C21H15FO3/c22-18-14-8-7-13-17(18)21(24)25-20(16-11-5-2-6-12-16)19(23)15-9-3-1-4-10-15/h1-14,20H
InChIKeyQXODJKDIYOZQRE-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.61
Rot. Bonds5

About (2-oxo-1,2-diphenylethyl) 2-fluorobenzoate

(2-oxo-1,2-diphenylethyl) 2-fluorobenzoate (PubChem CID 4160026) has the molecular formula C21H15FO3 and a molecular weight of 334.35 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 2-fluorobenzoate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 2-fluorobenzoate
PubChem CID4160026
Molecular FormulaC21H15FO3
Molecular Weight334.35 g/mol
Exact Mass334.10
IUPAC Name(2-oxo-1,2-diphenylethyl) 2-fluorobenzoate
SMILESO=C(OC(C(=O)c1ccccc1)c1ccccc1)c1ccccc1F
InChIInChI=1S/C21H15FO3/c22-18-14-8-7-13-17(18)21(24)25-20(16-11-5-2-6-12-16)19(23)15-9-3-1-4-10-15/h1-14,20H
InChIKeyQXODJKDIYOZQRE-UHFFFAOYSA-N
XLogP4.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 2-fluorobenzoate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 2-fluorobenzoate (CID 4160026) is (2-oxo-1,2-diphenylethyl) 2-fluorobenzoate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 2-fluorobenzoate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 2-fluorobenzoate is O=C(OC(C(=O)c1ccccc1)c1ccccc1)c1ccccc1F.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 2-fluorobenzoate?
The InChIKey is QXODJKDIYOZQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FO3/c22-18-14-8-7-13-17(18)21(24)25-20(16-11-5-2-6-12-16)19(23)15-9-3-1-4-10-15/h1-14,20H.
What are the key properties of (2-oxo-1,2-diphenylethyl) 2-fluorobenzoate?
(2-oxo-1,2-diphenylethyl) 2-fluorobenzoate has a molecular weight of 334.35 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 2-fluorobenzoate is sourced from PubChem (CID 4160026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).