trifluoro(3-pyrazin-2-ylsulfanylprop-1-en-2-yl)boranuide

C7H7BF3N2S- — CID 106747036

IUPACtrifluoro(3-pyrazin-2-ylsulfanylprop-1-en-2-yl)boranuide
SMILESC=C(CSc1cnccn1)[B-](F)(F)F
InChIInChI=1S/C7H7BF3N2S/c1-6(8(9,10)11)5-14-7-4-12-2-3-13-7/h2-4H,1,5H2/q-1
InChIKeyZOPSIWGJQFFKRP-UHFFFAOYSA-N
MW219.02 g/mol
LogP2.51
Rot. Bonds4

About trifluoro(3-pyrazin-2-ylsulfanylprop-1-en-2-yl)boranuide

trifluoro(3-pyrazin-2-ylsulfanylprop-1-en-2-yl)boranuide (PubChem CID 106747036) has the molecular formula C7H7BF3N2S- and a molecular weight of 219.02 g/mol. Its IUPAC name is trifluoro(3-pyrazin-2-ylsulfanylprop-1-en-2-yl)boranuide.

Molecular Properties

Compound Nametrifluoro(3-pyrazin-2-ylsulfanylprop-1-en-2-yl)boranuide
PubChem CID106747036
Molecular FormulaC7H7BF3N2S-
Molecular Weight219.02 g/mol
Exact Mass219.04
IUPAC Nametrifluoro(3-pyrazin-2-ylsulfanylprop-1-en-2-yl)boranuide
SMILESC=C(CSc1cnccn1)[B-](F)(F)F
InChIInChI=1S/C7H7BF3N2S/c1-6(8(9,10)11)5-14-7-4-12-2-3-13-7/h2-4H,1,5H2/q-1
InChIKeyZOPSIWGJQFFKRP-UHFFFAOYSA-N
XLogP2.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.02
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 trifluoro(3-pyrazin-2-ylsulfanylprop-1-en-2-yl)boranuide?
The IUPAC name of trifluoro(3-pyrazin-2-ylsulfanylprop-1-en-2-yl)boranuide (CID 106747036) is trifluoro(3-pyrazin-2-ylsulfanylprop-1-en-2-yl)boranuide.
What is the SMILES notation for trifluoro(3-pyrazin-2-ylsulfanylprop-1-en-2-yl)boranuide?
The canonical SMILES for trifluoro(3-pyrazin-2-ylsulfanylprop-1-en-2-yl)boranuide is C=C(CSc1cnccn1)[B-](F)(F)F.
What is the InChIKey of trifluoro(3-pyrazin-2-ylsulfanylprop-1-en-2-yl)boranuide?
The InChIKey is ZOPSIWGJQFFKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BF3N2S/c1-6(8(9,10)11)5-14-7-4-12-2-3-13-7/h2-4H,1,5H2/q-1.
What are the key properties of trifluoro(3-pyrazin-2-ylsulfanylprop-1-en-2-yl)boranuide?
trifluoro(3-pyrazin-2-ylsulfanylprop-1-en-2-yl)boranuide has a molecular weight of 219.02 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(3-pyrazin-2-ylsulfanylprop-1-en-2-yl)boranuide is sourced from PubChem (CID 106747036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).