2-cyanoacetamide;trifluoroborane

C3H4BF3N2O — CID 174856023

IUPAC2-cyanoacetamide;trifluoroborane
SMILESFB(F)F.N#CCC(N)=O
InChIInChI=1S/C3H4N2O.BF3/c4-2-1-3(5)6;2-1(3)4/h1H2,(H2,5,6);
InChIKeyHWBVDMXBDFCRAB-UHFFFAOYSA-N
MW151.88 g/mol
LogP0.27
Rot. Bonds1

About 2-cyanoacetamide;trifluoroborane

2-cyanoacetamide;trifluoroborane (PubChem CID 174856023) has the molecular formula C3H4BF3N2O and a molecular weight of 151.88 g/mol. Its IUPAC name is 2-cyanoacetamide;trifluoroborane.

Molecular Properties

Compound Name2-cyanoacetamide;trifluoroborane
PubChem CID174856023
Molecular FormulaC3H4BF3N2O
Molecular Weight151.88 g/mol
Exact Mass152.04
IUPAC Name2-cyanoacetamide;trifluoroborane
SMILESFB(F)F.N#CCC(N)=O
InChIInChI=1S/C3H4N2O.BF3/c4-2-1-3(5)6;2-1(3)4/h1H2,(H2,5,6);
InChIKeyHWBVDMXBDFCRAB-UHFFFAOYSA-N
XLogP0.27
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.88
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyanoacetamide;trifluoroborane?
The IUPAC name of 2-cyanoacetamide;trifluoroborane (CID 174856023) is 2-cyanoacetamide;trifluoroborane.
What is the SMILES notation for 2-cyanoacetamide;trifluoroborane?
The canonical SMILES for 2-cyanoacetamide;trifluoroborane is FB(F)F.N#CCC(N)=O.
What is the InChIKey of 2-cyanoacetamide;trifluoroborane?
The InChIKey is HWBVDMXBDFCRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O.BF3/c4-2-1-3(5)6;2-1(3)4/h1H2,(H2,5,6);.
What are the key properties of 2-cyanoacetamide;trifluoroborane?
2-cyanoacetamide;trifluoroborane has a molecular weight of 151.88 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoacetamide;trifluoroborane is sourced from PubChem (CID 174856023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).