ethyl 2-[3-(trifluoromethyl)phenyl]acetate

C11H11F3O2 — CID 2778597

IUPACethyl 2-[3-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3O2/c1-2-16-10(15)7-8-4-3-5-9(6-8)11(12,13)14/h3-6H,2,7H2,1H3
InChIKeyJDSJLOLGIHAOOZ-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.81
Rot. Bonds3

About ethyl 2-[3-(trifluoromethyl)phenyl]acetate

ethyl 2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 2778597) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is ethyl 2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID2778597
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Nameethyl 2-[3-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3O2/c1-2-16-10(15)7-8-4-3-5-9(6-8)11(12,13)14/h3-6H,2,7H2,1H3
InChIKeyJDSJLOLGIHAOOZ-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of ethyl 2-[3-(trifluoromethyl)phenyl]acetate (CID 2778597) is ethyl 2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[3-(trifluoromethyl)phenyl]acetate is CCOC(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl 2-[3-(trifluoromethyl)phenyl]acetate?
The InChIKey is JDSJLOLGIHAOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-2-16-10(15)7-8-4-3-5-9(6-8)11(12,13)14/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-[3-(trifluoromethyl)phenyl]acetate?
ethyl 2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 232.20 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 2778597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).