2-(4-fluorophenyl)-6-phenoxyhexanenitrile

C18H18FNO — CID 82137114

IUPAC2-(4-fluorophenyl)-6-phenoxyhexanenitrile
SMILESN#CC(CCCCOc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO/c19-17-11-9-15(10-12-17)16(14-20)6-4-5-13-21-18-7-2-1-3-8-18/h1-3,7-12,16H,4-6,13H2
InChIKeyWKLZVSJMIGBNOA-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.68
Rot. Bonds7

About 2-(4-fluorophenyl)-6-phenoxyhexanenitrile

2-(4-fluorophenyl)-6-phenoxyhexanenitrile (PubChem CID 82137114) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-phenoxyhexanenitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-phenoxyhexanenitrile
PubChem CID82137114
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name2-(4-fluorophenyl)-6-phenoxyhexanenitrile
SMILESN#CC(CCCCOc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO/c19-17-11-9-15(10-12-17)16(14-20)6-4-5-13-21-18-7-2-1-3-8-18/h1-3,7-12,16H,4-6,13H2
InChIKeyWKLZVSJMIGBNOA-UHFFFAOYSA-N
XLogP4.68
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.68
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-(3-fluorophenyl)-5-phenoxypentanenitrile
CID 82137523
2-(4-methoxyphenyl)-5-phenoxypentanenitrile
CID 82137631
2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile
CID 82137130
2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile
CID 82137170
6-(3-methylphenoxy)-2-phenylhexanenitrile
CID 82136903
5-(2-ethylphenoxy)-2-(4-fluorophenyl)pentanenitrile
CID 82137122
4-(4-fluorophenoxy)-2-(4-nitrophenyl)butanenitrile
CID 82137370
5-(3,5-dimethylphenoxy)-2-phenylpentanenitrile
CID 82136917
4-[1-cyano-3-(3-fluorophenoxy)propyl]benzoic acid
CID 82137204
2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile
CID 82137632
2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)ethylamino]pentanenitrile
CID 70242162
4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile
CID 82077294

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-phenoxyhexanenitrile?
The IUPAC name of 2-(4-fluorophenyl)-6-phenoxyhexanenitrile (CID 82137114) is 2-(4-fluorophenyl)-6-phenoxyhexanenitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-6-phenoxyhexanenitrile?
The canonical SMILES for 2-(4-fluorophenyl)-6-phenoxyhexanenitrile is N#CC(CCCCOc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-phenoxyhexanenitrile?
The InChIKey is WKLZVSJMIGBNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-17-11-9-15(10-12-17)16(14-20)6-4-5-13-21-18-7-2-1-3-8-18/h1-3,7-12,16H,4-6,13H2.
What are the key properties of 2-(4-fluorophenyl)-6-phenoxyhexanenitrile?
2-(4-fluorophenyl)-6-phenoxyhexanenitrile has a molecular weight of 283.35 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-phenoxyhexanenitrile is sourced from PubChem (CID 82137114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).