ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate

C13H15F3O3 — CID 64661650

IUPACethyl 2-[2-(trifluoromethyl)phenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3O3/c1-3-10(12(17)18-4-2)19-11-8-6-5-7-9(11)13(14,15)16/h5-8,10H,3-4H2,1-2H3
InChIKeyPRXFKOWMZVWUHJ-UHFFFAOYSA-N
MW276.25 g/mol
LogP3.43
Rot. Bonds5

About ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate

ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate (PubChem CID 64661650) has the molecular formula C13H15F3O3 and a molecular weight of 276.25 g/mol. Its IUPAC name is ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[2-(trifluoromethyl)phenoxy]butanoate
PubChem CID64661650
Molecular FormulaC13H15F3O3
Molecular Weight276.25 g/mol
Exact Mass276.10
IUPAC Nameethyl 2-[2-(trifluoromethyl)phenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3O3/c1-3-10(12(17)18-4-2)19-11-8-6-5-7-9(11)13(14,15)16/h5-8,10H,3-4H2,1-2H3
InChIKeyPRXFKOWMZVWUHJ-UHFFFAOYSA-N
XLogP3.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoate
CID 168869982
ethyl 2-[4-amino-2-(trifluoromethyl)phenoxy]pentanoate
CID 83037158
ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate
CID 64669299
ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate
CID 43365238
3-(4-tert-butylphenyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 69342374
ethyl 2-chloro-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
CID 86649590
ethyl 2-[hydroxy-[2-(trifluoromethyl)phenyl]methyl]butanoate
CID 62394555
ethyl 2-[2-(trifluoromethyl)anilino]propanoate
CID 55031551
ethyl 2,3-dihydroxy-3-[2-(trifluoromethyl)phenyl]propanoate
CID 171866347
ethyl 2-[3-chloro-2-(hydroxymethyl)phenoxy]butanoate
CID 113276891
ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate
CID 125470264
1-[2-(trifluoromethyl)phenoxy]ethyl acetate
CID 69255536

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate?
The IUPAC name of ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate (CID 64661650) is ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate.
What is the SMILES notation for ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate?
The canonical SMILES for ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate is CCOC(=O)C(CC)Oc1ccccc1C(F)(F)F.
What is the InChIKey of ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate?
The InChIKey is PRXFKOWMZVWUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O3/c1-3-10(12(17)18-4-2)19-11-8-6-5-7-9(11)13(14,15)16/h5-8,10H,3-4H2,1-2H3.
What are the key properties of ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate?
ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate has a molecular weight of 276.25 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate is sourced from PubChem (CID 64661650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).