2-(4-aminophenoxy)-6-fluorobenzonitrile

C13H9FN2O — CID 43609010

IUPAC2-(4-aminophenoxy)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1ccc(N)cc1
InChIInChI=1S/C13H9FN2O/c14-12-2-1-3-13(11(12)8-15)17-10-6-4-9(16)5-7-10/h1-7H,16H2
InChIKeyWVIYONKOBSTSQQ-UHFFFAOYSA-N
MW228.23 g/mol
LogP3.07
Rot. Bonds2

About 2-(4-aminophenoxy)-6-fluorobenzonitrile

2-(4-aminophenoxy)-6-fluorobenzonitrile (PubChem CID 43609010) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(4-aminophenoxy)-6-fluorobenzonitrile
PubChem CID43609010
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name2-(4-aminophenoxy)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1ccc(N)cc1
InChIInChI=1S/C13H9FN2O/c14-12-2-1-3-13(11(12)8-15)17-10-6-4-9(16)5-7-10/h1-7H,16H2
InChIKeyWVIYONKOBSTSQQ-UHFFFAOYSA-N
XLogP3.07
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile
CID 154966368
2-(4-ethylphenoxy)-6-fluorobenzonitrile
CID 52855348
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43609128
2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile
CID 43609103
2-(3-chlorophenoxy)-6-fluorobenzonitrile
CID 24777412
2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile
CID 133384052
2-(2-amino-6-methylphenoxy)-6-fluorobenzonitrile
CID 113333829
2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile
CID 62266985
2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile
CID 79512940

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-6-fluorobenzonitrile?
The IUPAC name of 2-(4-aminophenoxy)-6-fluorobenzonitrile (CID 43609010) is 2-(4-aminophenoxy)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(4-aminophenoxy)-6-fluorobenzonitrile?
The canonical SMILES for 2-(4-aminophenoxy)-6-fluorobenzonitrile is N#Cc1c(F)cccc1Oc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-6-fluorobenzonitrile?
The InChIKey is WVIYONKOBSTSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-12-2-1-3-13(11(12)8-15)17-10-6-4-9(16)5-7-10/h1-7H,16H2.
What are the key properties of 2-(4-aminophenoxy)-6-fluorobenzonitrile?
2-(4-aminophenoxy)-6-fluorobenzonitrile has a molecular weight of 228.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-6-fluorobenzonitrile is sourced from PubChem (CID 43609010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).