benzyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

C17H15F3O3 — CID 23659545

IUPACbenzyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SMILESCO[C@](C(=O)OCc1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H15F3O3/c1-22-16(17(18,19)20,14-10-6-3-7-11-14)15(21)23-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3/t16-/m0/s1
InChIKeyOAUUWNIEWWQVTK-INIZCTEOSA-N
MW324.30 g/mol
LogP3.83
Rot. Bonds5

About benzyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

benzyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate (PubChem CID 23659545) has the molecular formula C17H15F3O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is benzyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate.

Molecular Properties

Compound Namebenzyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
PubChem CID23659545
Molecular FormulaC17H15F3O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Namebenzyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SMILESCO[C@](C(=O)OCc1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H15F3O3/c1-22-16(17(18,19)20,14-10-6-3-7-11-14)15(21)23-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3/t16-/m0/s1
InChIKeyOAUUWNIEWWQVTK-INIZCTEOSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate 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

Ethyl 3-methyl-3-phenylglycidate
CID 6501
Benzyl phenylacetate
CID 60999
Dimenoxadol
CID 17036
Methyl benzilate
CID 66159
Ethoxydiphenylacetic acid
CID 24119
Benzoin acetate
CID 95416
Mosher's acid
CID 86531
Ethyl diphenylglycolate
CID 96261
Diphenylmethoxyacetic acid
CID 30620
Methyl 3-methyl-3-phenyloxirane-2-carboxylate
CID 228011
Methyl 2-methoxy-2-phenylacetate
CID 344720
2-Methoxy-2-phenylpropanoic acid
CID 344895

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
The IUPAC name of benzyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate (CID 23659545) is benzyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate.
What is the SMILES notation for benzyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
The canonical SMILES for benzyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate is CO[C@](C(=O)OCc1ccccc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of benzyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
The InChIKey is OAUUWNIEWWQVTK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15F3O3/c1-22-16(17(18,19)20,14-10-6-3-7-11-14)15(21)23-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3/t16-/m0/s1.
What are the key properties of benzyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
benzyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate has a molecular weight of 324.30 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate is sourced from PubChem (CID 23659545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).