2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile

C13H8F2N2O — CID 113458317

IUPAC2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Oc1c(N)cccc1F
InChIInChI=1S/C13H8F2N2O/c14-9-4-5-12(8(6-9)7-16)18-13-10(15)2-1-3-11(13)17/h1-6H,17H2
InChIKeyDDFGEICFLQTEEK-UHFFFAOYSA-N
MW246.22 g/mol
LogP3.21
Rot. Bonds2

About 2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile

2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile (PubChem CID 113458317) has the molecular formula C13H8F2N2O and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile
PubChem CID113458317
Molecular FormulaC13H8F2N2O
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Oc1c(N)cccc1F
InChIInChI=1S/C13H8F2N2O/c14-9-4-5-12(8(6-9)7-16)18-13-10(15)2-1-3-11(13)17/h1-6H,17H2
InChIKeyDDFGEICFLQTEEK-UHFFFAOYSA-N
XLogP3.21
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 53.21
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

3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile
CID 113458316
2-(2,6-diaminophenoxy)benzonitrile
CID 163217042
2-(2-cyano-4-fluorophenoxy)-6-fluorobenzoic acid
CID 107016444
5-amino-2-(2,5-difluorophenoxy)benzonitrile
CID 55167360
4-(2-cyano-4-fluorophenoxy)-3,5-dimethylbenzonitrile
CID 65470191
2-(6-amino-2,3-difluorophenoxy)benzonitrile
CID 62533416
2-(2-amino-6-methylphenoxy)-6-fluorobenzonitrile
CID 113333829
2-amino-5-fluorobenzonitrile
CID 2737704
2-(3,5-difluorophenoxy)-3-fluoroaniline
CID 112740565
5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855784
2-(4-fluoro-2-methylphenoxy)-3-methylaniline
CID 68879061
2-(2-tert-butylphenoxy)-5-fluorobenzonitrile
CID 63668027

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile?
The IUPAC name of 2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile (CID 113458317) is 2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile?
The canonical SMILES for 2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile is N#Cc1cc(F)ccc1Oc1c(N)cccc1F.
What is the InChIKey of 2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile?
The InChIKey is DDFGEICFLQTEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O/c14-9-4-5-12(8(6-9)7-16)18-13-10(15)2-1-3-11(13)17/h1-6H,17H2.
What are the key properties of 2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile?
2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile has a molecular weight of 246.22 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile is sourced from PubChem (CID 113458317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).