ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate

C11H10FNO3 — CID 134653675

IUPACethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate
SMILESCCOC(=O)Cc1c(F)ccc(O)c1C#N
InChIInChI=1S/C11H10FNO3/c1-2-16-11(15)5-7-8(6-13)10(14)4-3-9(7)12/h3-4,14H,2,5H2,1H3
InChIKeySPDIJINCXPIKLX-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.51
Rot. Bonds3

About ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate

ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate (PubChem CID 134653675) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate
PubChem CID134653675
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Nameethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate
SMILESCCOC(=O)Cc1c(F)ccc(O)c1C#N
InChIInChI=1S/C11H10FNO3/c1-2-16-11(15)5-7-8(6-13)10(14)4-3-9(7)12/h3-4,14H,2,5H2,1H3
InChIKeySPDIJINCXPIKLX-UHFFFAOYSA-N
XLogP1.51
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-cyano-3-fluoro-6-methylphenyl)acetate
CID 134615064
ethyl 2-(2-cyano-6-fluoro-3-formylphenyl)acetate
CID 134654383
ethyl 2-(3-cyano-2-fluoro-4-hydroxyphenyl)acetate
CID 134654362
ethyl 2-(2-cyano-6-fluoro-3-nitrophenyl)acetate
CID 134654345
ethyl 2-(2-cyano-6-hydroxy-3-methylphenyl)acetate
CID 134632251
ethyl 2-[3-(bromomethyl)-2-cyano-4-fluorophenyl]acetate
CID 134652808
ethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate
CID 134652489
ethyl 2-[2,5-dicyano-4-(2-ethoxy-2-oxoethyl)-3,6-dihydroxyphenyl]acetate
CID 176905457
ethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate
CID 134631915
ethyl 2-(6-cyano-2,3-dihydroxyphenyl)acetate
CID 134654415
ethyl 2-(3-cyano-4-fluoro-2-nitrophenyl)acetate
CID 134653632
ethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate
CID 134655699

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate?
The IUPAC name of ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate (CID 134653675) is ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate is CCOC(=O)Cc1c(F)ccc(O)c1C#N.
What is the InChIKey of ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate?
The InChIKey is SPDIJINCXPIKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-2-16-11(15)5-7-8(6-13)10(14)4-3-9(7)12/h3-4,14H,2,5H2,1H3.
What are the key properties of ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate?
ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate has a molecular weight of 223.20 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate is sourced from PubChem (CID 134653675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).