ethyl 2,2-difluoro-2-(8-methyl-4-phenylquinolin-3-yl)acetate

C20H17F2NO2 — CID 164677020

IUPACethyl 2,2-difluoro-2-(8-methyl-4-phenylquinolin-3-yl)acetate
SMILESCCOC(=O)C(F)(F)c1cnc2c(C)cccc2c1-c1ccccc1
InChIInChI=1S/C20H17F2NO2/c1-3-25-19(24)20(21,22)16-12-23-18-13(2)8-7-11-15(18)17(16)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3
InChIKeyXCICWYCYNDOFRY-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.87
Rot. Bonds4

About ethyl 2,2-difluoro-2-(8-methyl-4-phenylquinolin-3-yl)acetate

ethyl 2,2-difluoro-2-(8-methyl-4-phenylquinolin-3-yl)acetate (PubChem CID 164677020) has the molecular formula C20H17F2NO2 and a molecular weight of 341.36 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(8-methyl-4-phenylquinolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(8-methyl-4-phenylquinolin-3-yl)acetate
PubChem CID164677020
Molecular FormulaC20H17F2NO2
Molecular Weight341.36 g/mol
Exact Mass341.12
IUPAC Nameethyl 2,2-difluoro-2-(8-methyl-4-phenylquinolin-3-yl)acetate
SMILESCCOC(=O)C(F)(F)c1cnc2c(C)cccc2c1-c1ccccc1
InChIInChI=1S/C20H17F2NO2/c1-3-25-19(24)20(21,22)16-12-23-18-13(2)8-7-11-15(18)17(16)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3
InChIKeyXCICWYCYNDOFRY-UHFFFAOYSA-N
XLogP4.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(8-methyl-4-phenylquinolin-3-yl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(8-methyl-4-phenylquinolin-3-yl)acetate (CID 164677020) is ethyl 2,2-difluoro-2-(8-methyl-4-phenylquinolin-3-yl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(8-methyl-4-phenylquinolin-3-yl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(8-methyl-4-phenylquinolin-3-yl)acetate is CCOC(=O)C(F)(F)c1cnc2c(C)cccc2c1-c1ccccc1.
What is the InChIKey of ethyl 2,2-difluoro-2-(8-methyl-4-phenylquinolin-3-yl)acetate?
The InChIKey is XCICWYCYNDOFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO2/c1-3-25-19(24)20(21,22)16-12-23-18-13(2)8-7-11-15(18)17(16)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-(8-methyl-4-phenylquinolin-3-yl)acetate?
ethyl 2,2-difluoro-2-(8-methyl-4-phenylquinolin-3-yl)acetate has a molecular weight of 341.36 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(8-methyl-4-phenylquinolin-3-yl)acetate is sourced from PubChem (CID 164677020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).