2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile

C17H14FNO2 — CID 103758745

IUPAC2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile
SMILESCCC(=O)c1ccccc1OCc1ccc(F)c(C#N)c1
InChIInChI=1S/C17H14FNO2/c1-2-16(20)14-5-3-4-6-17(14)21-11-12-7-8-15(18)13(9-12)10-19/h3-9H,2,11H2,1H3
InChIKeyOEXGJVYBKLMGNZ-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.87
Rot. Bonds5

About 2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile

2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile (PubChem CID 103758745) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile
PubChem CID103758745
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile
SMILESCCC(=O)c1ccccc1OCc1ccc(F)c(C#N)c1
InChIInChI=1S/C17H14FNO2/c1-2-16(20)14-5-3-4-6-17(14)21-11-12-7-8-15(18)13(9-12)10-19/h3-9H,2,11H2,1H3
InChIKeyOEXGJVYBKLMGNZ-UHFFFAOYSA-N
XLogP3.87
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-cyano-4-fluorophenyl)methoxy]phenyl]boronic acid
CID 107882689
1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one
CID 63530895
5-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]-2-fluorobenzonitrile
CID 107879480
1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 103046633
2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile
CID 107889224
2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
CID 103758922
3-[(3-cyano-4-fluorophenyl)methoxy]-5-ethylthiophene-2-carboxylic acid
CID 107878276
5-[(4-acetylphenoxy)methyl]-2-fluorobenzonitrile
CID 103758764
5-[(2,5-dimethylphenoxy)methyl]-2-fluorobenzonitrile
CID 103758788
5-[(5-chloro-2-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 114012400
2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 107882495
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile (CID 103758745) is 2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile is CCC(=O)c1ccccc1OCc1ccc(F)c(C#N)c1.
What is the InChIKey of 2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile?
The InChIKey is OEXGJVYBKLMGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-2-16(20)14-5-3-4-6-17(14)21-11-12-7-8-15(18)13(9-12)10-19/h3-9H,2,11H2,1H3.
What are the key properties of 2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile?
2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile has a molecular weight of 283.30 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(2-propanoylphenoxy)methyl]benzonitrile is sourced from PubChem (CID 103758745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).