5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile

C19H20FNO — CID 82137122

IUPAC5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile
SMILESCCc1ccccc1OCCCC(C#N)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO/c1-2-15-6-3-4-8-19(15)22-13-5-7-17(14-21)16-9-11-18(20)12-10-16/h3-4,6,8-12,17H,2,5,7,13H2,1H3
InChIKeyHVXCLJVUMVEWMC-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.85
Rot. Bonds7

About 5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile

5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile (PubChem CID 82137122) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile.

Molecular Properties

Compound Name5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile
PubChem CID82137122
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile
SMILESCCc1ccccc1OCCCC(C#N)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO/c1-2-15-6-3-4-8-19(15)22-13-5-7-17(14-21)16-9-11-18(20)12-10-16/h3-4,6,8-12,17H,2,5,7,13H2,1H3
InChIKeyHVXCLJVUMVEWMC-UHFFFAOYSA-N
XLogP4.85
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile
CID 82137130
2-(4-fluorophenyl)-6-phenoxyhexanenitrile
CID 82137114
4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile
CID 82137578
5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile
CID 82137676
4-[1-cyano-4-(2,3-dimethylphenoxy)butyl]benzonitrile
CID 82137772
2-(4-methoxyphenyl)-5-phenoxypentanenitrile
CID 82137631
2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile
CID 82137170
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile
CID 70242162
2-(3-fluorophenyl)-5-phenoxypentanenitrile
CID 82137523
4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile
CID 82077294
ethane;1-ethyl-2-(2-fluoroethoxy)benzene
CID 170716854

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile?
The IUPAC name of 5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile (CID 82137122) is 5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile.
What is the SMILES notation for 5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile?
The canonical SMILES for 5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile is CCc1ccccc1OCCCC(C#N)c1ccc(F)cc1.
What is the InChIKey of 5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile?
The InChIKey is HVXCLJVUMVEWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-2-15-6-3-4-8-19(15)22-13-5-7-17(14-21)16-9-11-18(20)12-10-16/h3-4,6,8-12,17H,2,5,7,13H2,1H3.
What are the key properties of 5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile?
5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile has a molecular weight of 297.37 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile is sourced from PubChem (CID 82137122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).