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

C16H13F3O3 — CID 133061108

IUPACethyl 2-[3-(trifluoromethyl)phenoxy]benzoate
SMILESCCOC(=O)c1ccccc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3O3/c1-2-21-15(20)13-8-3-4-9-14(13)22-12-7-5-6-11(10-12)16(17,18)19/h3-10H,2H2,1H3
InChIKeyPQUUMDQISBVNQU-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.67
Rot. Bonds4

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

ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate (PubChem CID 133061108) has the molecular formula C16H13F3O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate.

Molecular Properties

Compound Nameethyl 2-[3-(trifluoromethyl)phenoxy]benzoate
PubChem CID133061108
Molecular FormulaC16H13F3O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Nameethyl 2-[3-(trifluoromethyl)phenoxy]benzoate
SMILESCCOC(=O)c1ccccc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3O3/c1-2-21-15(20)13-8-3-4-9-14(13)22-12-7-5-6-11(10-12)16(17,18)19/h3-10H,2H2,1H3
InChIKeyPQUUMDQISBVNQU-UHFFFAOYSA-N
XLogP4.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
CID 133056470
ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate
CID 4268945
ethyl 2-(3,4-difluorophenoxy)benzoate
CID 175272248
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 2-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxylate
CID 1474616
[3-(2-methylbutan-2-yl)phenyl] 2-[3-(2-methylbutan-2-yl)phenoxy]benzoate
CID 57242633
ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 66825644
ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 2786761
ethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate
CID 139934928
ethyl 2-(4-bromophenoxy)benzoate
CID 23464800
ethyl 2-(trifluoromethoxy)-4-[3-(trifluoromethyl)phenyl]benzoate
CID 134622584
methyl 2-[2-[3-[3-(trifluoromethyl)phenoxy]phenoxy]phenyl]acetate
CID 151514749

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate?
The IUPAC name of ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate (CID 133061108) is ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate.
What is the SMILES notation for ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate?
The canonical SMILES for ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate is CCOC(=O)c1ccccc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate?
The InChIKey is PQUUMDQISBVNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O3/c1-2-21-15(20)13-8-3-4-9-14(13)22-12-7-5-6-11(10-12)16(17,18)19/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate?
ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate has a molecular weight of 310.27 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate is sourced from PubChem (CID 133061108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).