ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate

C16H13F3O3 — CID 4268945

IUPACethyl 4-[3-(trifluoromethyl)phenoxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H13F3O3/c1-2-21-15(20)11-6-8-13(9-7-11)22-14-5-3-4-12(10-14)16(17,18)19/h3-10H,2H2,1H3
InChIKeyZXSRTANFVXDONZ-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.67
Rot. Bonds4

About ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate

ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate (PubChem CID 4268945) has the molecular formula C16H13F3O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(trifluoromethyl)phenoxy]benzoate
PubChem CID4268945
Molecular FormulaC16H13F3O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Nameethyl 4-[3-(trifluoromethyl)phenoxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H13F3O3/c1-2-21-15(20)11-6-8-13(9-7-11)22-14-5-3-4-12(10-14)16(17,18)19/h3-10H,2H2,1H3
InChIKeyZXSRTANFVXDONZ-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 2-[3-(trifluoromethyl)phenoxy]benzoate
CID 133061108
ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 66825644
2-fluoro-1-[4-[3-(trifluoromethyl)phenoxy]phenyl]propan-1-one
CID 154354047
ethyl 4-[2-[3-(trifluoromethyl)phenyl]ethynyl]benzoate
CID 154713790
ethyl 4-[4-(aminomethyl)phenoxy]benzoate
CID 66585359
3-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 69484751
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
N-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate
CID 86737876
ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 2786761
ethyl 3-[3-(trifluoromethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate
CID 162385369
ethyl 2-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxylate
CID 1474616

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate?
The IUPAC name of ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate (CID 4268945) is ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate.
What is the SMILES notation for ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate?
The canonical SMILES for ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate is CCOC(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate?
The InChIKey is ZXSRTANFVXDONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O3/c1-2-21-15(20)11-6-8-13(9-7-11)22-14-5-3-4-12(10-14)16(17,18)19/h3-10H,2H2,1H3.
What are the key properties of ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate?
ethyl 4-[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 4-[3-(trifluoromethyl)phenoxy]benzoate is sourced from PubChem (CID 4268945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).