2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile

C20H16FNO — CID 82137170

IUPAC2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile
SMILESN#CC(CCOc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C20H16FNO/c21-19-8-5-16(6-9-19)18(14-22)11-12-23-20-10-7-15-3-1-2-4-17(15)13-20/h1-10,13,18H,11-12H2
InChIKeyJPHYQBVUGGSLPG-UHFFFAOYSA-N
MW305.35 g/mol
LogP5.06
Rot. Bonds5

About 2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile

2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile (PubChem CID 82137170) has the molecular formula C20H16FNO and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile
PubChem CID82137170
Molecular FormulaC20H16FNO
Molecular Weight305.35 g/mol
Exact Mass305.12
IUPAC Name2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile
SMILESN#CC(CCOc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C20H16FNO/c21-19-8-5-16(6-9-19)18(14-22)11-12-23-20-10-7-15-3-1-2-4-17(15)13-20/h1-10,13,18H,11-12H2
InChIKeyJPHYQBVUGGSLPG-UHFFFAOYSA-N
XLogP5.06
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.35
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-6-phenoxyhexanenitrile
CID 82137114
4-(4-fluorophenoxy)-2-(4-nitrophenyl)butanenitrile
CID 82137370
2-amino-4-naphthalen-2-yloxybutanenitrile
CID 55143146
2-(3-fluorophenyl)-4-(4-methoxyphenoxy)butanenitrile
CID 82137521
2-(4-methoxyphenyl)-4-(3-methylphenoxy)butanenitrile
CID 82137627
2-(methylamino)-4-naphthalen-2-yloxybutanenitrile
CID 63028831
4-[1-cyano-3-(3-fluorophenoxy)propyl]benzoic acid
CID 82137204
2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile
CID 82137277
4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile
CID 82137552
2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile
CID 82137130
2-(4-methoxyphenyl)-5-phenoxypentanenitrile
CID 82137631
4-(3-ethylphenoxy)-2-(3-fluorophenyl)butanenitrile
CID 82137556

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile?
The IUPAC name of 2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile (CID 82137170) is 2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile?
The canonical SMILES for 2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile is N#CC(CCOc1ccc2ccccc2c1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile?
The InChIKey is JPHYQBVUGGSLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO/c21-19-8-5-16(6-9-19)18(14-22)11-12-23-20-10-7-15-3-1-2-4-17(15)13-20/h1-10,13,18H,11-12H2.
What are the key properties of 2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile?
2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile has a molecular weight of 305.35 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile is sourced from PubChem (CID 82137170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).