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

C18H17F3O3 — CID 11974616

IUPACethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate
SMILESCCOC(=O)Cc1cccc(OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H17F3O3/c1-2-23-17(22)11-13-6-5-8-15(10-13)24-12-14-7-3-4-9-16(14)18(19,20)21/h3-10H,2,11-12H2,1H3
InChIKeyKPQBZYCWWXMGBF-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.39
Rot. Bonds6

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

ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate (PubChem CID 11974616) has the molecular formula C18H17F3O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate
PubChem CID11974616
Molecular FormulaC18H17F3O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Nameethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate
SMILESCCOC(=O)Cc1cccc(OCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H17F3O3/c1-2-23-17(22)11-13-6-5-8-15(10-13)24-12-14-7-3-4-9-16(14)18(19,20)21/h3-10H,2,11-12H2,1H3
InChIKeyKPQBZYCWWXMGBF-UHFFFAOYSA-N
XLogP4.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate?
The IUPAC name of ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate (CID 11974616) is ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate?
The canonical SMILES for ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate is CCOC(=O)Cc1cccc(OCc2ccccc2C(F)(F)F)c1.
What is the InChIKey of ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate?
The InChIKey is KPQBZYCWWXMGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O3/c1-2-23-17(22)11-13-6-5-8-15(10-13)24-12-14-7-3-4-9-16(14)18(19,20)21/h3-10H,2,11-12H2,1H3.
What are the key properties of ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate?
ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate has a molecular weight of 338.33 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetate is sourced from PubChem (CID 11974616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).