ethyl 2-(3-cyano-2-fluorophenyl)acetate

C11H10FNO2 — CID 134652102

IUPACethyl 2-(3-cyano-2-fluorophenyl)acetate
SMILESCCOC(=O)Cc1cccc(C#N)c1F
InChIInChI=1S/C11H10FNO2/c1-2-15-10(14)6-8-4-3-5-9(7-13)11(8)12/h3-5H,2,6H2,1H3
InChIKeyIZUYMQWLOKDJOL-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.80
Rot. Bonds3

About ethyl 2-(3-cyano-2-fluorophenyl)acetate

ethyl 2-(3-cyano-2-fluorophenyl)acetate (PubChem CID 134652102) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is ethyl 2-(3-cyano-2-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-cyano-2-fluorophenyl)acetate
PubChem CID134652102
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Nameethyl 2-(3-cyano-2-fluorophenyl)acetate
SMILESCCOC(=O)Cc1cccc(C#N)c1F
InChIInChI=1S/C11H10FNO2/c1-2-15-10(14)6-8-4-3-5-9(7-13)11(8)12/h3-5H,2,6H2,1H3
InChIKeyIZUYMQWLOKDJOL-UHFFFAOYSA-N
XLogP1.80
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-cyano-3-fluoro-2-sulfanylphenyl)acetate
CID 134653983
ethyl 2-[3-(aminomethyl)-4-cyano-2-fluorophenyl]acetate
CID 134652048
ethyl 2-(4-cyano-3-fluoro-2-methoxyphenyl)acetate
CID 134654754
ethyl 2-(2-cyano-5-ethyl-4-fluorophenyl)acetate
CID 134654353
ethyl 2-[5-(aminomethyl)-4-cyano-2-hydroxyphenyl]acetate
CID 134652264
ethyl 2-[5-(chloromethyl)-3-cyano-2-fluorophenyl]acetate
CID 134655597
methyl 3-[2-cyano-6-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 134653429
1-phenylethyl 2-(3-cyano-2-fluorophenyl)acetate
CID 139788900
ethyl 2-(3-cyano-2-fluoro-4-hydroxyphenyl)acetate
CID 134654362
3-(ethoxymethyl)-2-fluorobenzonitrile
CID 107115085
ethyl 2-(5-cyano-2-fluoro-4-methylphenyl)acetate
CID 134633595
ethyl 2-(4-cyanonaphthalen-1-yl)acetate
CID 72942952

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyano-2-fluorophenyl)acetate?
The IUPAC name of ethyl 2-(3-cyano-2-fluorophenyl)acetate (CID 134652102) is ethyl 2-(3-cyano-2-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-(3-cyano-2-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-(3-cyano-2-fluorophenyl)acetate is CCOC(=O)Cc1cccc(C#N)c1F.
What is the InChIKey of ethyl 2-(3-cyano-2-fluorophenyl)acetate?
The InChIKey is IZUYMQWLOKDJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-2-15-10(14)6-8-4-3-5-9(7-13)11(8)12/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(3-cyano-2-fluorophenyl)acetate?
ethyl 2-(3-cyano-2-fluorophenyl)acetate has a molecular weight of 207.20 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyano-2-fluorophenyl)acetate is sourced from PubChem (CID 134652102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).