ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate

C17H15F3O3 — CID 170432744

IUPACethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3O3/c1-2-22-16(21)11-12-3-5-13(6-4-12)14-7-9-15(10-8-14)23-17(18,19)20/h3-10H,2,11H2,1H3
InChIKeyWHSXMHZGXZVHES-UHFFFAOYSA-N
MW324.30 g/mol
LogP4.36
Rot. Bonds5

About ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate

ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate (PubChem CID 170432744) has the molecular formula C17H15F3O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
PubChem CID170432744
Molecular FormulaC17H15F3O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Nameethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3O3/c1-2-22-16(21)11-12-3-5-13(6-4-12)14-7-9-15(10-8-14)23-17(18,19)20/h3-10H,2,11H2,1H3
InChIKeyWHSXMHZGXZVHES-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 88799052
ethyl (3S)-3-amino-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 154815468
ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999189
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate
CID 170909645
ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate
CID 134638973
ethyl 2-[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]acetate
CID 170999588
ethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998059
ethyl 3-hydroxy-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 62393974
4-[2-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxyethyl]benzoic acid
CID 157226623
ethyl 2-[3-chloro-4-(trifluoromethoxy)phenyl]acetate
CID 134632922
ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate
CID 170998065

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate (CID 170432744) is ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate is CCOC(=O)Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate?
The InChIKey is WHSXMHZGXZVHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O3/c1-2-22-16(21)11-12-3-5-13(6-4-12)14-7-9-15(10-8-14)23-17(18,19)20/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate?
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate has a molecular weight of 324.30 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate is sourced from PubChem (CID 170432744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).