4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile

C15H8ClF2NO2 — CID 114323759

IUPAC4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile
SMILESN#Cc1ccc(Cl)cc1OCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H8ClF2NO2/c16-10-2-1-9(7-19)15(5-10)21-8-14(20)12-4-3-11(17)6-13(12)18/h1-6H,8H2
InChIKeyQLLHAOLAKUBPGW-UHFFFAOYSA-N
MW307.68 g/mol
LogP3.75
Rot. Bonds4

About 4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile

4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile (PubChem CID 114323759) has the molecular formula C15H8ClF2NO2 and a molecular weight of 307.68 g/mol. Its IUPAC name is 4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile
PubChem CID114323759
Molecular FormulaC15H8ClF2NO2
Molecular Weight307.68 g/mol
Exact Mass307.02
IUPAC Name4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile
SMILESN#Cc1ccc(Cl)cc1OCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H8ClF2NO2/c16-10-2-1-9(7-19)15(5-10)21-8-14(20)12-4-3-11(17)6-13(12)18/h1-6H,8H2
InChIKeyQLLHAOLAKUBPGW-UHFFFAOYSA-N
XLogP3.75
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.68
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 114323741
2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656484
2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile
CID 60643058
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone
CID 102982740
4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323790
4-chloro-2-[2-(4-methylsulfanylphenyl)-2-oxoethoxy]benzonitrile
CID 114323757
2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656400
2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 107659375
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 7764075
2-[2-(3-bromothiophen-2-yl)-2-oxoethoxy]-4-chlorobenzonitrile
CID 114323779
N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708020
2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 43612511

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile?
The IUPAC name of 4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile (CID 114323759) is 4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile?
The canonical SMILES for 4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile is N#Cc1ccc(Cl)cc1OCC(=O)c1ccc(F)cc1F.
What is the InChIKey of 4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile?
The InChIKey is QLLHAOLAKUBPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2NO2/c16-10-2-1-9(7-19)15(5-10)21-8-14(20)12-4-3-11(17)6-13(12)18/h1-6H,8H2.
What are the key properties of 4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile?
4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile has a molecular weight of 307.68 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 114323759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).