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

C15H9ClFNO2 — CID 103793495

IUPAC4-[2-(3-chlorophenyl)-2-oxoethoxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(OCC(=O)c2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C15H9ClFNO2/c16-12-3-1-2-11(7-12)14(19)9-20-15-5-4-10(8-18)6-13(15)17/h1-7H,9H2
InChIKeyQDVMYXSDHKOMNG-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.61
Rot. Bonds4

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

4-[2-(3-chlorophenyl)-2-oxoethoxy]-3-fluorobenzonitrile (PubChem CID 103793495) has the molecular formula C15H9ClFNO2 and a molecular weight of 289.69 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-2-oxoethoxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-2-oxoethoxy]-3-fluorobenzonitrile
PubChem CID103793495
Molecular FormulaC15H9ClFNO2
Molecular Weight289.69 g/mol
Exact Mass289.03
IUPAC Name4-[2-(3-chlorophenyl)-2-oxoethoxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(OCC(=O)c2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C15H9ClFNO2/c16-12-3-1-2-11(7-12)14(19)9-20-15-5-4-10(8-18)6-13(15)17/h1-7H,9H2
InChIKeyQDVMYXSDHKOMNG-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

3-[2-(3-chlorophenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760387
4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323790
3-fluoro-4-[2-(4-methylphenyl)-2-oxoethoxy]benzonitrile
CID 103793465
4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile
CID 78952755
2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone
CID 116689480
3-ethoxy-4-[2-(3-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 8676993
3-fluoro-4-(3-oxo-3-phenylpropoxy)benzonitrile
CID 107666528
3-[2-(4-chlorophenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760383
N-(2-chlorophenyl)-2-(4-cyano-2-fluorophenoxy)acetamide
CID 103792209
3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760397
3-[2-(2-iodophenoxy)acetyl]benzonitrile
CID 166021425
2-(4-cyano-2-fluorophenoxy)-N-(2-fluorophenyl)acetamide
CID 103793510

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-2-oxoethoxy]-3-fluorobenzonitrile?
The IUPAC name of 4-[2-(3-chlorophenyl)-2-oxoethoxy]-3-fluorobenzonitrile (CID 103793495) is 4-[2-(3-chlorophenyl)-2-oxoethoxy]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-2-oxoethoxy]-3-fluorobenzonitrile?
The canonical SMILES for 4-[2-(3-chlorophenyl)-2-oxoethoxy]-3-fluorobenzonitrile is N#Cc1ccc(OCC(=O)c2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 4-[2-(3-chlorophenyl)-2-oxoethoxy]-3-fluorobenzonitrile?
The InChIKey is QDVMYXSDHKOMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO2/c16-12-3-1-2-11(7-12)14(19)9-20-15-5-4-10(8-18)6-13(15)17/h1-7H,9H2.
What are the key properties of 4-[2-(3-chlorophenyl)-2-oxoethoxy]-3-fluorobenzonitrile?
4-[2-(3-chlorophenyl)-2-oxoethoxy]-3-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]-3-fluorobenzonitrile is sourced from PubChem (CID 103793495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).