ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate

C11H10F4O3 — CID 170909645

IUPACethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C11H10F4O3/c1-2-17-10(16)6-7-5-8(3-4-9(7)12)18-11(13,14)15/h3-5H,2,6H2,1H3
InChIKeyGPXIIOHWTPVGBE-UHFFFAOYSA-N
MW266.19 g/mol
LogP2.83
Rot. Bonds4

About ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate

ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate (PubChem CID 170909645) has the molecular formula C11H10F4O3 and a molecular weight of 266.19 g/mol. Its IUPAC name is ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate
PubChem CID170909645
Molecular FormulaC11H10F4O3
Molecular Weight266.19 g/mol
Exact Mass266.06
IUPAC Nameethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C11H10F4O3/c1-2-17-10(16)6-7-5-8(3-4-9(7)12)18-11(13,14)15/h3-5H,2,6H2,1H3
InChIKeyGPXIIOHWTPVGBE-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999189
ethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998059
ethyl 2-[5-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]acetate
CID 170997918
ethyl 3-[2-bromo-5-(trifluoromethoxy)phenyl]propanoate
CID 134632420
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
ethyl 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanoate
CID 134632480
ethyl 4-[2-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutanoate
CID 171898262
ethyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 170266184
2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 83410120
ethyl 3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enoate
CID 169481008
ethyl 3-[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]propanoate
CID 134632352
1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene
CID 130935910

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate?
The IUPAC name of ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate (CID 170909645) is ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate is CCOC(=O)Cc1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate?
The InChIKey is GPXIIOHWTPVGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O3/c1-2-17-10(16)6-7-5-8(3-4-9(7)12)18-11(13,14)15/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate?
ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate has a molecular weight of 266.19 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate is sourced from PubChem (CID 170909645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).