oxalonitrile;sulfane;trifluoroborane

C2H2BF3N2S — CID 175034013

IUPACoxalonitrile;sulfane;trifluoroborane
SMILESFB(F)F.N#CC#N.S
InChIInChI=1S/C2N2.BF3.H2S/c3-1-2-4;2-1(3)4;/h;;1H2
InChIKeyBEVOGNUGGHDKAH-UHFFFAOYSA-N
MW153.93 g/mol
LogP1.03
Rot. Bonds

About oxalonitrile;sulfane;trifluoroborane

oxalonitrile;sulfane;trifluoroborane (PubChem CID 175034013) has the molecular formula C2H2BF3N2S and a molecular weight of 153.93 g/mol. Its IUPAC name is oxalonitrile;sulfane;trifluoroborane.

Molecular Properties

Compound Nameoxalonitrile;sulfane;trifluoroborane
PubChem CID175034013
Molecular FormulaC2H2BF3N2S
Molecular Weight153.93 g/mol
Exact Mass154.00
IUPAC Nameoxalonitrile;sulfane;trifluoroborane
SMILESFB(F)F.N#CC#N.S
InChIInChI=1S/C2N2.BF3.H2S/c3-1-2-4;2-1(3)4;/h;;1H2
InChIKeyBEVOGNUGGHDKAH-UHFFFAOYSA-N
XLogP1.03
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.93
LogP ≤ 51.03
H-Bond Donors ≤ 50
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 oxalonitrile;sulfane;trifluoroborane?
The IUPAC name of oxalonitrile;sulfane;trifluoroborane (CID 175034013) is oxalonitrile;sulfane;trifluoroborane.
What is the SMILES notation for oxalonitrile;sulfane;trifluoroborane?
The canonical SMILES for oxalonitrile;sulfane;trifluoroborane is FB(F)F.N#CC#N.S.
What is the InChIKey of oxalonitrile;sulfane;trifluoroborane?
The InChIKey is BEVOGNUGGHDKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N2.BF3.H2S/c3-1-2-4;2-1(3)4;/h;;1H2.
What are the key properties of oxalonitrile;sulfane;trifluoroborane?
oxalonitrile;sulfane;trifluoroborane has a molecular weight of 153.93 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxalonitrile;sulfane;trifluoroborane is sourced from PubChem (CID 175034013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).