2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile

C15H9F2NO2 — CID 60643058

IUPAC2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H9F2NO2/c16-11-5-6-13(17)12(7-11)14(19)9-20-15-4-2-1-3-10(15)8-18/h1-7H,9H2
InChIKeyLDRNIAXDBKOVSB-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.10
Rot. Bonds4

About 2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile

2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile (PubChem CID 60643058) has the molecular formula C15H9F2NO2 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile
PubChem CID60643058
Molecular FormulaC15H9F2NO2
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H9F2NO2/c16-11-5-6-13(17)12(7-11)14(19)9-20-15-4-2-1-3-10(15)8-18/h1-7H,9H2
InChIKeyLDRNIAXDBKOVSB-UHFFFAOYSA-N
XLogP3.10
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile
CID 114323759
2-(2,5-difluorophenoxy)-1-(2-fluorophenyl)ethanone
CID 63269522
2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 60656990
2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60626920
2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 62785048
4-chloro-2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 114323741
(2-cyanophenyl) 2-(2-fluorophenoxy)acetate
CID 7934993
2-(3-cyano-2-oxopropoxy)benzonitrile
CID 20617575
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
(2-cyanophenyl) 2-(2-chloro-4-fluorophenoxy)acetate
CID 18286354
(2-cyanophenyl) 2-(2-bromo-4-fluorophenoxy)acetate
CID 29296923
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9275304

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile?
The IUPAC name of 2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile (CID 60643058) is 2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile is N#Cc1ccccc1OCC(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile?
The InChIKey is LDRNIAXDBKOVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO2/c16-11-5-6-13(17)12(7-11)14(19)9-20-15-4-2-1-3-10(15)8-18/h1-7H,9H2.
What are the key properties of 2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile?
2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile has a molecular weight of 273.24 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 60643058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).