ethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate

C12H12FNO2 — CID 134632248

IUPACethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate
SMILESCCOC(=O)Cc1c(F)cc(C)cc1C#N
InChIInChI=1S/C12H12FNO2/c1-3-16-12(15)6-10-9(7-14)4-8(2)5-11(10)13/h4-5H,3,6H2,1-2H3
InChIKeyHPFNGNVXRJFFGI-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.11
Rot. Bonds3

About ethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate

ethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate (PubChem CID 134632248) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is ethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate
PubChem CID134632248
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Nameethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate
SMILESCCOC(=O)Cc1c(F)cc(C)cc1C#N
InChIInChI=1S/C12H12FNO2/c1-3-16-12(15)6-10-9(7-14)4-8(2)5-11(10)13/h4-5H,3,6H2,1-2H3
InChIKeyHPFNGNVXRJFFGI-UHFFFAOYSA-N
XLogP2.11
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-cyano-4-ethyl-6-fluorophenyl)acetate
CID 134654764
ethyl 2-(2-cyano-5-ethyl-4-fluorophenyl)acetate
CID 134654353
ethyl 2-(5-cyano-2-fluoro-4-methylphenyl)acetate
CID 134633595
ethyl 2-[2-cyano-6-sulfanyl-4-(trifluoromethyl)phenyl]acetate
CID 134654176
ethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate
CID 134652489
ethyl 2-(2-cyano-6-ethyl-4-iodophenyl)acetate
CID 134614895
ethyl 2-(5-cyano-2-fluoro-4-hydroxyphenyl)acetate
CID 134655699
ethyl 2-(2-chloro-6-cyano-4-hydroxyphenyl)acetate
CID 134653188
ethyl 2-[2-cyano-4-(difluoromethyl)-6-(hydroxymethyl)phenyl]acetate
CID 134655251
ethyl 2-[2-(chloromethyl)-4-cyano-5-fluorophenyl]acetate
CID 134632088
ethyl 2-[2-cyano-4-ethyl-6-(hydroxymethyl)phenyl]acetate
CID 134615004
ethyl 2-(2-cyano-3-fluoro-6-methylphenyl)acetate
CID 134615064

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate?
The IUPAC name of ethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate (CID 134632248) is ethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate?
The canonical SMILES for ethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate is CCOC(=O)Cc1c(F)cc(C)cc1C#N.
What is the InChIKey of ethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate?
The InChIKey is HPFNGNVXRJFFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-3-16-12(15)6-10-9(7-14)4-8(2)5-11(10)13/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate?
ethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate has a molecular weight of 221.23 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate is sourced from PubChem (CID 134632248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).