4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile

C16H13F2NO — CID 82137552

IUPAC4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile
SMILESN#CC(CCOc1ccccc1F)c1cccc(F)c1
InChIInChI=1S/C16H13F2NO/c17-14-5-3-4-12(10-14)13(11-19)8-9-20-16-7-2-1-6-15(16)18/h1-7,10,13H,8-9H2
InChIKeyHWWIJZUYVGPRGX-UHFFFAOYSA-N
MW273.28 g/mol
LogP4.04
Rot. Bonds5

About 4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile

4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile (PubChem CID 82137552) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile
PubChem CID82137552
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile
SMILESN#CC(CCOc1ccccc1F)c1cccc(F)c1
InChIInChI=1S/C16H13F2NO/c17-14-5-3-4-12(10-14)13(11-19)8-9-20-16-7-2-1-6-15(16)18/h1-7,10,13H,8-9H2
InChIKeyHWWIJZUYVGPRGX-UHFFFAOYSA-N
XLogP4.04
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile
CID 82137578
4-(2,4-dimethylphenoxy)-2-(3-fluorophenyl)butanenitrile
CID 82137559
2-(1,3-benzodioxol-5-yl)-4-(2-fluorophenoxy)butanenitrile
CID 82137622
2-(3-fluorophenyl)-4-(4-methoxyphenoxy)butanenitrile
CID 82137521
2-(3-fluorophenyl)-5-phenoxypentanenitrile
CID 82137523
4-(3-ethylphenoxy)-2-(3-fluorophenyl)butanenitrile
CID 82137556
2-(2-fluorophenoxy)-1-(3-fluorophenyl)ethanamine
CID 18070424
4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile
CID 82137283
2-(3-chlorophenyl)-4-(2-methylphenoxy)butanenitrile
CID 82137183
5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile
CID 82137676
2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile
CID 82137170
2-(2-fluorophenyl)-4-(2,4,5-trimethylphenoxy)butanenitrile
CID 82137279

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile?
The IUPAC name of 4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile (CID 82137552) is 4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile.
What is the SMILES notation for 4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile?
The canonical SMILES for 4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile is N#CC(CCOc1ccccc1F)c1cccc(F)c1.
What is the InChIKey of 4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile?
The InChIKey is HWWIJZUYVGPRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-14-5-3-4-12(10-14)13(11-19)8-9-20-16-7-2-1-6-15(16)18/h1-7,10,13H,8-9H2.
What are the key properties of 4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile?
4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile has a molecular weight of 273.28 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile is sourced from PubChem (CID 82137552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).