2-(6-amino-2,3-difluorophenoxy)benzonitrile

C13H8F2N2O — CID 62533416

IUPAC2-(6-amino-2,3-difluorophenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1c(N)ccc(F)c1F
InChIInChI=1S/C13H8F2N2O/c14-9-5-6-10(17)13(12(9)15)18-11-4-2-1-3-8(11)7-16/h1-6H,17H2
InChIKeyLUYRENVKADJIHE-UHFFFAOYSA-N
MW246.22 g/mol
LogP3.21
Rot. Bonds2

About 2-(6-amino-2,3-difluorophenoxy)benzonitrile

2-(6-amino-2,3-difluorophenoxy)benzonitrile (PubChem CID 62533416) has the molecular formula C13H8F2N2O and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-(6-amino-2,3-difluorophenoxy)benzonitrile.

Molecular Properties

Compound Name2-(6-amino-2,3-difluorophenoxy)benzonitrile
PubChem CID62533416
Molecular FormulaC13H8F2N2O
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name2-(6-amino-2,3-difluorophenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1c(N)ccc(F)c1F
InChIInChI=1S/C13H8F2N2O/c14-9-5-6-10(17)13(12(9)15)18-11-4-2-1-3-8(11)7-16/h1-6H,17H2
InChIKeyLUYRENVKADJIHE-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

2-(2,6-diaminophenoxy)benzonitrile
CID 163217042
2-(2-chlorophenoxy)-3,4-difluoroaniline
CID 62533366
2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-[2-(6-amino-2,3-difluorophenoxy)phenyl]ethanol
CID 107711922
2-(2-amino-6-fluorophenoxy)-5-fluorobenzonitrile
CID 113458317
2-(3,4-difluorophenoxy)benzonitrile
CID 43429840
2-(2-amino-5-methylphenoxy)benzonitrile
CID 43363961
2-amino-5-(2-fluorophenoxy)benzonitrile
CID 115499740
3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile
CID 113458316
2-(4-amino-3-methoxyphenoxy)benzonitrile
CID 63677591
2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile
CID 62533029
2-(2-fluorophenoxy)-3-methylbenzonitrile
CID 107107441

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2,3-difluorophenoxy)benzonitrile?
The IUPAC name of 2-(6-amino-2,3-difluorophenoxy)benzonitrile (CID 62533416) is 2-(6-amino-2,3-difluorophenoxy)benzonitrile.
What is the SMILES notation for 2-(6-amino-2,3-difluorophenoxy)benzonitrile?
The canonical SMILES for 2-(6-amino-2,3-difluorophenoxy)benzonitrile is N#Cc1ccccc1Oc1c(N)ccc(F)c1F.
What is the InChIKey of 2-(6-amino-2,3-difluorophenoxy)benzonitrile?
The InChIKey is LUYRENVKADJIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O/c14-9-5-6-10(17)13(12(9)15)18-11-4-2-1-3-8(11)7-16/h1-6H,17H2.
What are the key properties of 2-(6-amino-2,3-difluorophenoxy)benzonitrile?
2-(6-amino-2,3-difluorophenoxy)benzonitrile 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-(6-amino-2,3-difluorophenoxy)benzonitrile is sourced from PubChem (CID 62533416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).