amino-(2-fluorophenyl)cyanamide

C7H6FN3 — CID 13162090

IUPACamino-(2-fluorophenyl)cyanamide
SMILESN#CN(N)c1ccccc1F
InChIInChI=1S/C7H6FN3/c8-6-3-1-2-4-7(6)11(10)5-9/h1-4H,10H2
InChIKeyUFPJUVISGPGSCZ-UHFFFAOYSA-N
MW151.14 g/mol
LogP0.99
Rot. Bonds1

About amino-(2-fluorophenyl)cyanamide

amino-(2-fluorophenyl)cyanamide (PubChem CID 13162090) has the molecular formula C7H6FN3 and a molecular weight of 151.14 g/mol. Its IUPAC name is amino-(2-fluorophenyl)cyanamide.

Molecular Properties

Compound Nameamino-(2-fluorophenyl)cyanamide
PubChem CID13162090
Molecular FormulaC7H6FN3
Molecular Weight151.14 g/mol
Exact Mass151.05
IUPAC Nameamino-(2-fluorophenyl)cyanamide
SMILESN#CN(N)c1ccccc1F
InChIInChI=1S/C7H6FN3/c8-6-3-1-2-4-7(6)11(10)5-9/h1-4H,10H2
InChIKeyUFPJUVISGPGSCZ-UHFFFAOYSA-N
XLogP0.99
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-(2-fluorophenyl)cyanamide?
The IUPAC name of amino-(2-fluorophenyl)cyanamide (CID 13162090) is amino-(2-fluorophenyl)cyanamide.
What is the SMILES notation for amino-(2-fluorophenyl)cyanamide?
The canonical SMILES for amino-(2-fluorophenyl)cyanamide is N#CN(N)c1ccccc1F.
What is the InChIKey of amino-(2-fluorophenyl)cyanamide?
The InChIKey is UFPJUVISGPGSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3/c8-6-3-1-2-4-7(6)11(10)5-9/h1-4H,10H2.
What are the key properties of amino-(2-fluorophenyl)cyanamide?
amino-(2-fluorophenyl)cyanamide has a molecular weight of 151.14 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2-fluorophenyl)cyanamide is sourced from PubChem (CID 13162090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).