ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate

C11H9ClFNO3 — CID 79356473

IUPACethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate
SMILESCCOC(=O)C(F)Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C11H9ClFNO3/c1-2-16-11(15)10(13)17-9-4-3-7(6-14)5-8(9)12/h3-5,10H,2H2,1H3
InChIKeyJWWOZLDHEABKBL-UHFFFAOYSA-N
MW257.65 g/mol
LogP2.45
Rot. Bonds4

About ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate

ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate (PubChem CID 79356473) has the molecular formula C11H9ClFNO3 and a molecular weight of 257.65 g/mol. Its IUPAC name is ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate
PubChem CID79356473
Molecular FormulaC11H9ClFNO3
Molecular Weight257.65 g/mol
Exact Mass257.03
IUPAC Nameethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate
SMILESCCOC(=O)C(F)Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C11H9ClFNO3/c1-2-16-11(15)10(13)17-9-4-3-7(6-14)5-8(9)12/h3-5,10H,2H2,1H3
InChIKeyJWWOZLDHEABKBL-UHFFFAOYSA-N
XLogP2.45
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate?
The IUPAC name of ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate (CID 79356473) is ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate is CCOC(=O)C(F)Oc1ccc(C#N)cc1Cl.
What is the InChIKey of ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate?
The InChIKey is JWWOZLDHEABKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO3/c1-2-16-11(15)10(13)17-9-4-3-7(6-14)5-8(9)12/h3-5,10H,2H2,1H3.
What are the key properties of ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate?
ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate has a molecular weight of 257.65 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate is sourced from PubChem (CID 79356473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).