ethyl 2-(3,5-difluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate

C20H17F2NO3 — CID 10666020

IUPACethyl 2-(3,5-difluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate
SMILESCCOC(=O)C(Oc1ccccc1-n1cccc1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H17F2NO3/c1-2-25-20(24)19(14-11-15(21)13-16(22)12-14)26-18-8-4-3-7-17(18)23-9-5-6-10-23/h3-13,19H,2H2,1H3
InChIKeyRXJAAGXLIODEDS-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.44
Rot. Bonds6

About ethyl 2-(3,5-difluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate

ethyl 2-(3,5-difluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate (PubChem CID 10666020) has the molecular formula C20H17F2NO3 and a molecular weight of 357.36 g/mol. Its IUPAC name is ethyl 2-(3,5-difluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(3,5-difluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate
PubChem CID10666020
Molecular FormulaC20H17F2NO3
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Nameethyl 2-(3,5-difluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate
SMILESCCOC(=O)C(Oc1ccccc1-n1cccc1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H17F2NO3/c1-2-25-20(24)19(14-11-15(21)13-16(22)12-14)26-18-8-4-3-7-17(18)23-9-5-6-10-23/h3-13,19H,2H2,1H3
InChIKeyRXJAAGXLIODEDS-UHFFFAOYSA-N
XLogP4.44
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-difluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate?
The IUPAC name of ethyl 2-(3,5-difluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate (CID 10666020) is ethyl 2-(3,5-difluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(3,5-difluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate?
The canonical SMILES for ethyl 2-(3,5-difluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate is CCOC(=O)C(Oc1ccccc1-n1cccc1)c1cc(F)cc(F)c1.
What is the InChIKey of ethyl 2-(3,5-difluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate?
The InChIKey is RXJAAGXLIODEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3/c1-2-25-20(24)19(14-11-15(21)13-16(22)12-14)26-18-8-4-3-7-17(18)23-9-5-6-10-23/h3-13,19H,2H2,1H3.
What are the key properties of ethyl 2-(3,5-difluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate?
ethyl 2-(3,5-difluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate has a molecular weight of 357.36 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-difluorophenyl)-2-(2-pyrrol-1-ylphenoxy)acetate is sourced from PubChem (CID 10666020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).