ethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate

C12H10F6O3 — CID 134639188

IUPACethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1c(O)ccc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C12H10F6O3/c1-2-21-9(20)5-6-8(19)4-3-7(11(13,14)15)10(6)12(16,17)18/h3-4,19H,2,5H2,1H3
InChIKeyMIESATKVLVMEIE-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.54
Rot. Bonds3

About ethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate

ethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate (PubChem CID 134639188) has the molecular formula C12H10F6O3 and a molecular weight of 316.20 g/mol. Its IUPAC name is ethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate
PubChem CID134639188
Molecular FormulaC12H10F6O3
Molecular Weight316.20 g/mol
Exact Mass316.05
IUPAC Nameethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1c(O)ccc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C12H10F6O3/c1-2-21-9(20)5-6-8(19)4-3-7(11(13,14)15)10(6)12(16,17)18/h3-4,19H,2,5H2,1H3
InChIKeyMIESATKVLVMEIE-UHFFFAOYSA-N
XLogP3.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-hydroxy-3-(trifluoromethyl)thiophen-2-yl]acetate
CID 19087801
ethyl 2-[6-cyano-2-methyl-3-(trifluoromethyl)phenyl]acetate
CID 134614197
ethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate
CID 134631915
ethyl 2-[5-chloro-2-(trifluoromethyl)phenyl]acetate
CID 66765121
ethyl 2-[3-methyl-2-(trifluoromethyl)phenyl]acetate
CID 134633126
ethyl 2-[2-cyano-3-hydroxy-4-(trifluoromethyl)phenyl]acetate
CID 134654225
ethyl 2-[3-cyano-2-methoxy-6-(trifluoromethyl)phenyl]acetate
CID 134655126
ethyl 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133098254
ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 171028667
ethyl 2-[4-amino-2,5-bis(trifluoromethyl)phenyl]acetate
CID 134633207
methyl 2-[3-ethyl-2,6-bis(trifluoromethyl)phenyl]acetate
CID 134614131
ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
CID 53419399

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate?
The IUPAC name of ethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate (CID 134639188) is ethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate is CCOC(=O)Cc1c(O)ccc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of ethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate?
The InChIKey is MIESATKVLVMEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6O3/c1-2-21-9(20)5-6-8(19)4-3-7(11(13,14)15)10(6)12(16,17)18/h3-4,19H,2,5H2,1H3.
What are the key properties of ethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate?
ethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate has a molecular weight of 316.20 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 134639188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).