4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile

C15H9ClFNO2 — CID 78952755

IUPAC4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile
SMILESN#Cc1ccc(OCC(=O)c2cccc(Cl)c2)cc1F
InChIInChI=1S/C15H9ClFNO2/c16-12-3-1-2-10(6-12)15(19)9-20-13-5-4-11(8-18)14(17)7-13/h1-7H,9H2
InChIKeyMVVUKUFXWMOTRE-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.61
Rot. Bonds4

About 4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile

4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile (PubChem CID 78952755) has the molecular formula C15H9ClFNO2 and a molecular weight of 289.69 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile
PubChem CID78952755
Molecular FormulaC15H9ClFNO2
Molecular Weight289.69 g/mol
Exact Mass289.03
IUPAC Name4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile
SMILESN#Cc1ccc(OCC(=O)c2cccc(Cl)c2)cc1F
InChIInChI=1S/C15H9ClFNO2/c16-12-3-1-2-10(6-12)15(19)9-20-13-5-4-11(8-18)14(17)7-13/h1-7H,9H2
InChIKeyMVVUKUFXWMOTRE-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

4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323790
4-[2-(3-chlorophenyl)-2-oxoethoxy]-3-fluorobenzonitrile
CID 103793495
2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
CID 60675294
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone
CID 105095876
N-(2-chlorophenyl)-2-(4-cyano-3-fluorophenoxy)acetamide
CID 78952552
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
4-[2-(3,4-difluorophenoxy)acetyl]benzonitrile
CID 43612525
2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
4-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]-2-fluorobenzonitrile
CID 78952740
N-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide
CID 122134917
3-[2-(3-chlorophenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760387
2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone
CID 116689480

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile?
The IUPAC name of 4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile (CID 78952755) is 4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile?
The canonical SMILES for 4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile is N#Cc1ccc(OCC(=O)c2cccc(Cl)c2)cc1F.
What is the InChIKey of 4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile?
The InChIKey is MVVUKUFXWMOTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO2/c16-12-3-1-2-10(6-12)15(19)9-20-13-5-4-11(8-18)14(17)7-13/h1-7H,9H2.
What are the key properties of 4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile?
4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-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 4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile is sourced from PubChem (CID 78952755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).