4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile

C15H10FNO2 — CID 2440861

IUPAC4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile
SMILESN#Cc1ccc(OCC(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H10FNO2/c16-14-4-2-1-3-13(14)15(18)10-19-12-7-5-11(9-17)6-8-12/h1-8H,10H2
InChIKeyIRBSIETZNHIUPQ-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.96
Rot. Bonds4

About 4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile

4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile (PubChem CID 2440861) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile
PubChem CID2440861
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile
SMILESN#Cc1ccc(OCC(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H10FNO2/c16-14-4-2-1-3-13(14)15(18)10-19-12-7-5-11(9-17)6-8-12/h1-8H,10H2
InChIKeyIRBSIETZNHIUPQ-UHFFFAOYSA-N
XLogP2.96
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-fluorophenyl)-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
CID 47003917
[2-(2-fluorophenyl)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 40617317
2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone
CID 7717893
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9141001
2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone
CID 2086964
1-(2-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413948
4-[2-(3,4-difluorophenoxy)acetyl]benzonitrile
CID 43612525
4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
CID 7818712
4-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzonitrile
CID 38900024
(5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 144721168
2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 2527758
4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile
CID 7818595

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile?
The IUPAC name of 4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile (CID 2440861) is 4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile?
The canonical SMILES for 4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile is N#Cc1ccc(OCC(=O)c2ccccc2F)cc1.
What is the InChIKey of 4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile?
The InChIKey is IRBSIETZNHIUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-14-4-2-1-3-13(14)15(18)10-19-12-7-5-11(9-17)6-8-12/h1-8H,10H2.
What are the key properties of 4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile?
4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile has a molecular weight of 255.25 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 2440861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).