2-amino-5-(2-fluorophenoxy)benzonitrile

C13H9FN2O — CID 115499740

IUPAC2-amino-5-(2-fluorophenoxy)benzonitrile
SMILESN#Cc1cc(Oc2ccccc2F)ccc1N
InChIInChI=1S/C13H9FN2O/c14-11-3-1-2-4-13(11)17-10-5-6-12(16)9(7-10)8-15/h1-7H,16H2
InChIKeyRXQJBCHGGYRKBQ-UHFFFAOYSA-N
MW228.23 g/mol
LogP3.07
Rot. Bonds2

About 2-amino-5-(2-fluorophenoxy)benzonitrile

2-amino-5-(2-fluorophenoxy)benzonitrile (PubChem CID 115499740) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-amino-5-(2-fluorophenoxy)benzonitrile.

Molecular Properties

Compound Name2-amino-5-(2-fluorophenoxy)benzonitrile
PubChem CID115499740
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name2-amino-5-(2-fluorophenoxy)benzonitrile
SMILESN#Cc1cc(Oc2ccccc2F)ccc1N
InChIInChI=1S/C13H9FN2O/c14-11-3-1-2-4-13(11)17-10-5-6-12(16)9(7-10)8-15/h1-7H,16H2
InChIKeyRXQJBCHGGYRKBQ-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluorophenoxy)-2-methylaniline
CID 26190288
2-bromo-4-(2-fluorophenoxy)aniline
CID 138707019
2-amino-5-(2,5-dichlorophenoxy)benzonitrile
CID 115499728
2-(3,4-difluorophenoxy)benzonitrile
CID 43429840
4-(2-fluorophenoxy)pyridine-2-carbonitrile
CID 62936070
2-(4-amino-3-methoxyphenoxy)benzonitrile
CID 63677591
4-(4-amino-3-cyanophenoxy)-2-fluorobenzamide
CID 115499856
1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone
CID 113433083
2-amino-5-fluorobenzonitrile
CID 2737704
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
4-(3,4-diaminophenoxy)-3-fluorobenzonitrile
CID 107670075
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-fluorophenoxy)benzonitrile?
The IUPAC name of 2-amino-5-(2-fluorophenoxy)benzonitrile (CID 115499740) is 2-amino-5-(2-fluorophenoxy)benzonitrile.
What is the SMILES notation for 2-amino-5-(2-fluorophenoxy)benzonitrile?
The canonical SMILES for 2-amino-5-(2-fluorophenoxy)benzonitrile is N#Cc1cc(Oc2ccccc2F)ccc1N.
What is the InChIKey of 2-amino-5-(2-fluorophenoxy)benzonitrile?
The InChIKey is RXQJBCHGGYRKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-11-3-1-2-4-13(11)17-10-5-6-12(16)9(7-10)8-15/h1-7H,16H2.
What are the key properties of 2-amino-5-(2-fluorophenoxy)benzonitrile?
2-amino-5-(2-fluorophenoxy)benzonitrile 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-amino-5-(2-fluorophenoxy)benzonitrile is sourced from PubChem (CID 115499740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).