cyano-tris(trifluoromethyl)boranuide

C4BF9N- — CID 87174075

IUPACcyano-tris(trifluoromethyl)boranuide
SMILESN#C[B-](C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4BF9N/c6-2(7,8)5(1-15,3(9,10)11)4(12,13)14/q-1
InChIKeyDYEFICXHOKEGJR-UHFFFAOYSA-N
MW243.84 g/mol
LogP2.80
Rot. Bonds

About cyano-tris(trifluoromethyl)boranuide

cyano-tris(trifluoromethyl)boranuide (PubChem CID 87174075) has the molecular formula C4BF9N- and a molecular weight of 243.84 g/mol. Its IUPAC name is cyano-tris(trifluoromethyl)boranuide.

Molecular Properties

Compound Namecyano-tris(trifluoromethyl)boranuide
PubChem CID87174075
Molecular FormulaC4BF9N-
Molecular Weight243.84 g/mol
Exact Mass244.00
IUPAC Namecyano-tris(trifluoromethyl)boranuide
SMILESN#C[B-](C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4BF9N/c6-2(7,8)5(1-15,3(9,10)11)4(12,13)14/q-1
InChIKeyDYEFICXHOKEGJR-UHFFFAOYSA-N
XLogP2.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.84
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 cyano-tris(trifluoromethyl)boranuide?
The IUPAC name of cyano-tris(trifluoromethyl)boranuide (CID 87174075) is cyano-tris(trifluoromethyl)boranuide.
What is the SMILES notation for cyano-tris(trifluoromethyl)boranuide?
The canonical SMILES for cyano-tris(trifluoromethyl)boranuide is N#C[B-](C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of cyano-tris(trifluoromethyl)boranuide?
The InChIKey is DYEFICXHOKEGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4BF9N/c6-2(7,8)5(1-15,3(9,10)11)4(12,13)14/q-1.
What are the key properties of cyano-tris(trifluoromethyl)boranuide?
cyano-tris(trifluoromethyl)boranuide has a molecular weight of 243.84 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyano-tris(trifluoromethyl)boranuide is sourced from PubChem (CID 87174075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).