ethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate

C14H15F2NO3 — CID 134614513

IUPACethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate
SMILESCCOC(=O)Cc1ccc(C#N)c(CC)c1OC(F)F
InChIInChI=1S/C14H15F2NO3/c1-3-11-10(8-17)6-5-9(7-12(18)19-4-2)13(11)20-14(15)16/h5-6,14H,3-4,7H2,1-2H3
InChIKeyHQPICAAWRFIZAY-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.83
Rot. Bonds6

About ethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate

ethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate (PubChem CID 134614513) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is ethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate
PubChem CID134614513
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Nameethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate
SMILESCCOC(=O)Cc1ccc(C#N)c(CC)c1OC(F)F
InChIInChI=1S/C14H15F2NO3/c1-3-11-10(8-17)6-5-9(7-12(18)19-4-2)13(11)20-14(15)16/h5-6,14H,3-4,7H2,1-2H3
InChIKeyHQPICAAWRFIZAY-UHFFFAOYSA-N
XLogP2.83
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[3-(aminomethyl)-4-cyano-2-(difluoromethoxy)phenyl]acetate
CID 134652163
ethyl 2-[4-cyano-3-(difluoromethoxy)-2-nitrophenyl]acetate
CID 134654800
ethyl 2-[3-cyano-2-(difluoromethoxy)-6-(trifluoromethylsulfanyl)phenyl]acetate
CID 134655256
ethyl 2-[2-(aminomethyl)-4-cyano-3-ethylphenyl]acetate
CID 134652210
ethyl 2-(4-cyano-2-ethyl-3-hydroxyphenyl)acetate
CID 134614494
ethyl 2-[5-chloro-3-cyano-2-(difluoromethoxy)phenyl]acetate
CID 134653116
ethyl 2-[2-cyano-3-(difluoromethoxy)-4-iodophenyl]acetate
CID 134653910
ethyl 2-[5-cyano-2-(difluoromethoxy)-3-sulfanylphenyl]acetate
CID 134655734
ethyl 2-(6-cyano-2-ethyl-3-sulfanylphenyl)acetate
CID 134614206
ethyl 2-[3-(aminomethyl)-4-cyano-2-fluorophenyl]acetate
CID 134652048
ethyl 2-(3-chloro-4-cyano-2-ethylphenyl)acetate
CID 134614781
ethyl 2-[2-cyano-5-(difluoromethoxy)-4-ethylphenyl]acetate
CID 134614974

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate?
The IUPAC name of ethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate (CID 134614513) is ethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate.
What is the SMILES notation for ethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate?
The canonical SMILES for ethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate is CCOC(=O)Cc1ccc(C#N)c(CC)c1OC(F)F.
What is the InChIKey of ethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate?
The InChIKey is HQPICAAWRFIZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c1-3-11-10(8-17)6-5-9(7-12(18)19-4-2)13(11)20-14(15)16/h5-6,14H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate?
ethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate has a molecular weight of 283.27 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-cyano-2-(difluoromethoxy)-3-ethylphenyl]acetate is sourced from PubChem (CID 134614513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).