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

C16H13F3O3 — CID 133056470

IUPACethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
SMILESCCOC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3O3/c1-2-21-15(20)11-5-3-7-13(9-11)22-14-8-4-6-12(10-14)16(17,18)19/h3-10H,2H2,1H3
InChIKeyFEVAWKSLASZZML-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.67
Rot. Bonds4

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

ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate (PubChem CID 133056470) has the molecular formula C16H13F3O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate.

Molecular Properties

Compound Nameethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
PubChem CID133056470
Molecular FormulaC16H13F3O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Nameethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
SMILESCCOC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3O3/c1-2-21-15(20)11-5-3-7-13(9-11)22-14-8-4-6-12(10-14)16(17,18)19/h3-10H,2H2,1H3
InChIKeyFEVAWKSLASZZML-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 4-[3-(trifluoromethyl)phenoxy]benzoate
CID 4268945
3-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 69484751
ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate
CID 133061108
ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 66825644
ethyl 3-(3,5-dichlorophenoxy)benzoate
CID 170871962
ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 2786761
diethyl benzene-1,3-dicarboxylate
CID 12491
2-ethoxyethyl 3-(trifluoromethyl)benzoate
CID 78788467
ethyl 3-[1-methyl-2-[3-(trifluoromethyl)phenoxy]benzimidazol-4-yl]benzoate;3-[1-methyl-2-[3-(trifluoromethyl)phenoxy]benzimidazol-4-yl]benzoic acid
CID 87302196
ethyl 3-(4,4,4-trifluorobutoxy)benzoate
CID 70828760
CID 66714636
CID 66714636
N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate?
The IUPAC name of ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate (CID 133056470) is ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate.
What is the SMILES notation for ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate?
The canonical SMILES for ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate is CCOC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate?
The InChIKey is FEVAWKSLASZZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O3/c1-2-21-15(20)11-5-3-7-13(9-11)22-14-8-4-6-12(10-14)16(17,18)19/h3-10H,2H2,1H3.
What are the key properties of ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate?
ethyl 3-[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 3-[3-(trifluoromethyl)phenoxy]benzoate is sourced from PubChem (CID 133056470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).