potassium trifluoro(3-methylbuta-1,3-dienyl)boranuide

C5H7BF3K — CID 141157834

IUPACpotassium trifluoro(3-methylbuta-1,3-dienyl)boranuide
SMILESC=C(C)C=C[B-](F)(F)F.[K+]
InChIInChI=1S/C5H7BF3.K/c1-5(2)3-4-6(7,8)9;/h3-4H,1H2,2H3;/q-1;+1
InChIKeyMITPHIVDCCUJHX-UHFFFAOYSA-N
MW174.01 g/mol
LogP-0.49
Rot. Bonds2

About potassium trifluoro(3-methylbuta-1,3-dienyl)boranuide

potassium trifluoro(3-methylbuta-1,3-dienyl)boranuide (PubChem CID 141157834) has the molecular formula C5H7BF3K and a molecular weight of 174.01 g/mol. Its IUPAC name is potassium trifluoro(3-methylbuta-1,3-dienyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(3-methylbuta-1,3-dienyl)boranuide
PubChem CID141157834
Molecular FormulaC5H7BF3K
Molecular Weight174.01 g/mol
Exact Mass174.02
IUPAC Namepotassium trifluoro(3-methylbuta-1,3-dienyl)boranuide
SMILESC=C(C)C=C[B-](F)(F)F.[K+]
InChIInChI=1S/C5H7BF3.K/c1-5(2)3-4-6(7,8)9;/h3-4H,1H2,2H3;/q-1;+1
InChIKeyMITPHIVDCCUJHX-UHFFFAOYSA-N
XLogP-0.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.01
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(3-methylbuta-1,3-dienyl)boranuide?
The IUPAC name of potassium trifluoro(3-methylbuta-1,3-dienyl)boranuide (CID 141157834) is potassium trifluoro(3-methylbuta-1,3-dienyl)boranuide.
What is the SMILES notation for potassium trifluoro(3-methylbuta-1,3-dienyl)boranuide?
The canonical SMILES for potassium trifluoro(3-methylbuta-1,3-dienyl)boranuide is C=C(C)C=C[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro(3-methylbuta-1,3-dienyl)boranuide?
The InChIKey is MITPHIVDCCUJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BF3.K/c1-5(2)3-4-6(7,8)9;/h3-4H,1H2,2H3;/q-1;+1.
What are the key properties of potassium trifluoro(3-methylbuta-1,3-dienyl)boranuide?
potassium trifluoro(3-methylbuta-1,3-dienyl)boranuide has a molecular weight of 174.01 g/mol, XLogP of -0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(3-methylbuta-1,3-dienyl)boranuide is sourced from PubChem (CID 141157834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).