ethyl 2-[2-cyano-5-(difluoromethoxy)-4-ethylphenyl]acetate

C14H15F2NO3 — CID 134614974

IUPACethyl 2-[2-cyano-5-(difluoromethoxy)-4-ethylphenyl]acetate
SMILESCCOC(=O)Cc1cc(OC(F)F)c(CC)cc1C#N
InChIInChI=1S/C14H15F2NO3/c1-3-9-5-11(8-17)10(7-13(18)19-4-2)6-12(9)20-14(15)16/h5-6,14H,3-4,7H2,1-2H3
InChIKeyKXZZMEPOJWFJNY-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.83
Rot. Bonds6

About ethyl 2-[2-cyano-5-(difluoromethoxy)-4-ethylphenyl]acetate

ethyl 2-[2-cyano-5-(difluoromethoxy)-4-ethylphenyl]acetate (PubChem CID 134614974) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is ethyl 2-[2-cyano-5-(difluoromethoxy)-4-ethylphenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-cyano-5-(difluoromethoxy)-4-ethylphenyl]acetate
PubChem CID134614974
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Nameethyl 2-[2-cyano-5-(difluoromethoxy)-4-ethylphenyl]acetate
SMILESCCOC(=O)Cc1cc(OC(F)F)c(CC)cc1C#N
InChIInChI=1S/C14H15F2NO3/c1-3-9-5-11(8-17)10(7-13(18)19-4-2)6-12(9)20-14(15)16/h5-6,14H,3-4,7H2,1-2H3
InChIKeyKXZZMEPOJWFJNY-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

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Related Compounds

ethyl 2-[5-(aminomethyl)-4-cyano-2-(difluoromethoxy)phenyl]acetate
CID 134652186
ethyl 2-[2-cyano-4-(difluoromethoxy)-5-sulfanylphenyl]acetate
CID 134640416
ethyl 2-(2-cyano-4-ethyl-5-methoxyphenyl)acetate
CID 134615010
ethyl 2-[4-cyano-5-(difluoromethoxy)-2-fluorophenyl]acetate
CID 134653797
ethyl 2-[5-cyano-4-(difluoromethoxy)-2-fluorophenyl]acetate
CID 134653787
ethyl 2-[4-cyano-5-(difluoromethoxy)-2-formylphenyl]acetate
CID 134653807
ethyl 2-[4-cyano-2-(difluoromethoxy)-5-(trifluoromethylsulfanyl)phenyl]acetate
CID 134653757
ethyl 2-[2-cyano-4-(difluoromethyl)-5-methoxyphenyl]acetate
CID 134654815
methyl 2-[5-cyano-4-(difluoromethoxy)-2-ethylphenyl]acetate
CID 134613385
ethyl 2-(5-bromo-2-cyano-4-ethylphenyl)acetate
CID 134652496
ethyl 2-(2-cyano-5-ethyl-4-fluorophenyl)acetate
CID 134654353
ethyl 2-(5-cyano-4-ethyl-2-methylphenyl)acetate
CID 134614240

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-cyano-5-(difluoromethoxy)-4-ethylphenyl]acetate?
The IUPAC name of ethyl 2-[2-cyano-5-(difluoromethoxy)-4-ethylphenyl]acetate (CID 134614974) is ethyl 2-[2-cyano-5-(difluoromethoxy)-4-ethylphenyl]acetate.
What is the SMILES notation for ethyl 2-[2-cyano-5-(difluoromethoxy)-4-ethylphenyl]acetate?
The canonical SMILES for ethyl 2-[2-cyano-5-(difluoromethoxy)-4-ethylphenyl]acetate is CCOC(=O)Cc1cc(OC(F)F)c(CC)cc1C#N.
What is the InChIKey of ethyl 2-[2-cyano-5-(difluoromethoxy)-4-ethylphenyl]acetate?
The InChIKey is KXZZMEPOJWFJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c1-3-9-5-11(8-17)10(7-13(18)19-4-2)6-12(9)20-14(15)16/h5-6,14H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-[2-cyano-5-(difluoromethoxy)-4-ethylphenyl]acetate?
ethyl 2-[2-cyano-5-(difluoromethoxy)-4-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-[2-cyano-5-(difluoromethoxy)-4-ethylphenyl]acetate is sourced from PubChem (CID 134614974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).