2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile

C15H9ClFNO2 — CID 62033638

IUPAC2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCC(=O)c1ccccc1Cl
InChIInChI=1S/C15H9ClFNO2/c16-12-5-2-1-4-10(12)14(19)9-20-15-7-3-6-13(17)11(15)8-18/h1-7H,9H2
InChIKeySXDAOTQVSZKPCY-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.61
Rot. Bonds4

About 2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile

2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile (PubChem CID 62033638) has the molecular formula C15H9ClFNO2 and a molecular weight of 289.69 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile
PubChem CID62033638
Molecular FormulaC15H9ClFNO2
Molecular Weight289.69 g/mol
Exact Mass289.03
IUPAC Name2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCC(=O)c1ccccc1Cl
InChIInChI=1S/C15H9ClFNO2/c16-12-5-2-1-4-10(12)14(19)9-20-15-7-3-6-13(17)11(15)8-18/h1-7H,9H2
InChIKeySXDAOTQVSZKPCY-UHFFFAOYSA-N
XLogP3.61
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[2-(2-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323691
2-chloro-6-[2-(4-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 114323689
2-chloro-6-phenacyloxybenzonitrile
CID 113277419
2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323687
2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile
CID 62034545
2-(2-cyano-3-fluorophenoxy)acetohydrazide
CID 63569107
2-(2,6-dichlorophenoxy)-1-(2-fluorophenyl)ethanone
CID 60626540
1-(2,5-dichlorophenyl)-2-(2-fluorophenoxy)ethanone
CID 43412967
2-(2,5-dichlorophenoxy)-1-(2-fluorophenyl)ethanone
CID 60623205
2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile
CID 107508195
2-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]-6-fluorobenzonitrile
CID 67301356
2-chloro-6-[2-(3,4-dimethylphenyl)-2-oxoethoxy]benzonitrile
CID 114323709

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile?
The IUPAC name of 2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile (CID 62033638) is 2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile?
The canonical SMILES for 2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile is N#Cc1c(F)cccc1OCC(=O)c1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile?
The InChIKey is SXDAOTQVSZKPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO2/c16-12-5-2-1-4-10(12)14(19)9-20-15-7-3-6-13(17)11(15)8-18/h1-7H,9H2.
What are the key properties of 2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile?
2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile has a molecular weight of 289.69 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile is sourced from PubChem (CID 62033638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).