ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate

C12H13F3O3 — CID 43365238

IUPACethyl 3-[2-(trifluoromethyl)phenoxy]propanoate
SMILESCCOC(=O)CCOc1ccccc1C(F)(F)F
InChIInChI=1S/C12H13F3O3/c1-2-17-11(16)7-8-18-10-6-4-3-5-9(10)12(13,14)15/h3-6H,2,7-8H2,1H3
InChIKeyHENIDFDXFOCNES-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.04
Rot. Bonds5

About ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate

ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate (PubChem CID 43365238) has the molecular formula C12H13F3O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(trifluoromethyl)phenoxy]propanoate
PubChem CID43365238
Molecular FormulaC12H13F3O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Nameethyl 3-[2-(trifluoromethyl)phenoxy]propanoate
SMILESCCOC(=O)CCOc1ccccc1C(F)(F)F
InChIInChI=1S/C12H13F3O3/c1-2-17-11(16)7-8-18-10-6-4-3-5-9(10)12(13,14)15/h3-6H,2,7-8H2,1H3
InChIKeyHENIDFDXFOCNES-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

hydrazinyl 3-[2-(trifluoromethyl)phenoxy]propanoate
CID 66337646
5-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 43793519
ethyl 3-[2-(trifluoromethyl)phenyl]sulfonylpropanoate
CID 106584509
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
ethyl 3-(2,5-difluorophenoxy)propanoate
CID 63268646
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
1-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 62041643
ethyl (3R)-3-amino-3-[2-(trifluoromethyl)phenyl]propanoate
CID 29059632
ethyl 2-[2-(trifluoromethyl)phenoxy]butanoate
CID 64661650
ethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate
CID 164576666
ethyl 4-(2-bromophenoxy)butanoate
CID 15070114
ethyl 5-[2-(1-propanoyloxy-1-propoxyethyl)phenoxy]pentanoate
CID 174270361

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate?
The IUPAC name of ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate (CID 43365238) is ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate.
What is the SMILES notation for ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate?
The canonical SMILES for ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate is CCOC(=O)CCOc1ccccc1C(F)(F)F.
What is the InChIKey of ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate?
The InChIKey is HENIDFDXFOCNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O3/c1-2-17-11(16)7-8-18-10-6-4-3-5-9(10)12(13,14)15/h3-6H,2,7-8H2,1H3.
What are the key properties of ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate?
ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate has a molecular weight of 262.23 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate is sourced from PubChem (CID 43365238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).