N-(4-cyano-2-fluorophenyl)-1-hydroxyformonitrilium

C8H4FN2O+ — CID 91426686

IUPACN-(4-cyano-2-fluorophenyl)-1-hydroxyformonitrilium
SMILESN#Cc1ccc([N+]#CO)c(F)c1
InChIInChI=1S/C8H3FN2O/c9-7-3-6(4-10)1-2-8(7)11-5-12/h1-3H/p+1
InChIKeyIYZVZWLOBDAREX-UHFFFAOYSA-O
MW163.13 g/mol
LogP1.99
Rot. Bonds

About N-(4-cyano-2-fluorophenyl)-1-hydroxyformonitrilium

N-(4-cyano-2-fluorophenyl)-1-hydroxyformonitrilium (PubChem CID 91426686) has the molecular formula C8H4FN2O+ and a molecular weight of 163.13 g/mol. Its IUPAC name is N-(4-cyano-2-fluorophenyl)-1-hydroxyformonitrilium.

Molecular Properties

Compound NameN-(4-cyano-2-fluorophenyl)-1-hydroxyformonitrilium
PubChem CID91426686
Molecular FormulaC8H4FN2O+
Molecular Weight163.13 g/mol
Exact Mass163.03
IUPAC NameN-(4-cyano-2-fluorophenyl)-1-hydroxyformonitrilium
SMILESN#Cc1ccc([N+]#CO)c(F)c1
InChIInChI=1S/C8H3FN2O/c9-7-3-6(4-10)1-2-8(7)11-5-12/h1-3H/p+1
InChIKeyIYZVZWLOBDAREX-UHFFFAOYSA-O
XLogP1.99
TPSA48.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-fluorophenyl)-1-hydroxyformonitrilium?
The IUPAC name of N-(4-cyano-2-fluorophenyl)-1-hydroxyformonitrilium (CID 91426686) is N-(4-cyano-2-fluorophenyl)-1-hydroxyformonitrilium.
What is the SMILES notation for N-(4-cyano-2-fluorophenyl)-1-hydroxyformonitrilium?
The canonical SMILES for N-(4-cyano-2-fluorophenyl)-1-hydroxyformonitrilium is N#Cc1ccc([N+]#CO)c(F)c1.
What is the InChIKey of N-(4-cyano-2-fluorophenyl)-1-hydroxyformonitrilium?
The InChIKey is IYZVZWLOBDAREX-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H3FN2O/c9-7-3-6(4-10)1-2-8(7)11-5-12/h1-3H/p+1.
What are the key properties of N-(4-cyano-2-fluorophenyl)-1-hydroxyformonitrilium?
N-(4-cyano-2-fluorophenyl)-1-hydroxyformonitrilium has a molecular weight of 163.13 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-fluorophenyl)-1-hydroxyformonitrilium is sourced from PubChem (CID 91426686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).