[2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate

C17H13F3O4 — CID 58832520

IUPAC[2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate
SMILESCC(=O)OCC(=O)c1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C17H13F3O4/c1-11(21)23-10-15(22)13-6-4-5-12(9-13)14-7-2-3-8-16(14)24-17(18,19)20/h2-9H,10H2,1H3
InChIKeyQRFQYRALXINANA-UHFFFAOYSA-N
MW338.28 g/mol
LogP4.00
Rot. Bonds5

About [2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate

[2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate (PubChem CID 58832520) has the molecular formula C17H13F3O4 and a molecular weight of 338.28 g/mol. Its IUPAC name is [2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate.

Molecular Properties

Compound Name[2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate
PubChem CID58832520
Molecular FormulaC17H13F3O4
Molecular Weight338.28 g/mol
Exact Mass338.08
IUPAC Name[2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate
SMILESCC(=O)OCC(=O)c1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C17H13F3O4/c1-11(21)23-10-15(22)13-6-4-5-12(9-13)14-7-2-3-8-16(14)24-17(18,19)20/h2-9H,10H2,1H3
InChIKeyQRFQYRALXINANA-UHFFFAOYSA-N
XLogP4.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate with MolForge

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

Launch Full Analysis

Related Compounds

1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514239
methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 11394687
(E)-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 16768784
ethyl 3-amino-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 175004873
4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11360822
4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide
CID 11371458
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
CID 11209672
[3-[2-(trifluoromethoxy)phenyl]phenyl]hydrazine
CID 154827771
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
ethyl 2-hydroxy-4-[2-(trifluoromethoxy)phenyl]benzoate
CID 134633108

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate?
The IUPAC name of [2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate (CID 58832520) is [2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate.
What is the SMILES notation for [2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate?
The canonical SMILES for [2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate is CC(=O)OCC(=O)c1cccc(-c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of [2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate?
The InChIKey is QRFQYRALXINANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O4/c1-11(21)23-10-15(22)13-6-4-5-12(9-13)14-7-2-3-8-16(14)24-17(18,19)20/h2-9H,10H2,1H3.
What are the key properties of [2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate?
[2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate has a molecular weight of 338.28 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate is sourced from PubChem (CID 58832520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).