potassium trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide

C6H9BF3KO — CID 155820118

IUPACpotassium trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide
SMILESF[B-](F)(F)[C@@]12COCC[C@@H]1C2.[K+]
InChIInChI=1S/C6H9BF3O.K/c8-7(9,10)6-3-5(6)1-2-11-4-6;/h5H,1-4H2;/q-1;+1/t5-,6+;/m1./s1
InChIKeyMRLRTEZGWJXAAO-IBTYICNHSA-N
MW204.04 g/mol
LogP-0.98
Rot. Bonds1

About potassium trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide

potassium trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide (PubChem CID 155820118) has the molecular formula C6H9BF3KO and a molecular weight of 204.04 g/mol. Its IUPAC name is potassium trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide
PubChem CID155820118
Molecular FormulaC6H9BF3KO
Molecular Weight204.04 g/mol
Exact Mass204.03
IUPAC Namepotassium trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide
SMILESF[B-](F)(F)[C@@]12COCC[C@@H]1C2.[K+]
InChIInChI=1S/C6H9BF3O.K/c8-7(9,10)6-3-5(6)1-2-11-4-6;/h5H,1-4H2;/q-1;+1/t5-,6+;/m1./s1
InChIKeyMRLRTEZGWJXAAO-IBTYICNHSA-N
XLogP-0.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.04
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide?
The IUPAC name of potassium trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide (CID 155820118) is potassium trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide?
The canonical SMILES for potassium trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide is F[B-](F)(F)[C@@]12COCC[C@@H]1C2.[K+].
What is the InChIKey of potassium trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide?
The InChIKey is MRLRTEZGWJXAAO-IBTYICNHSA-N. The full InChI is InChI=1S/C6H9BF3O.K/c8-7(9,10)6-3-5(6)1-2-11-4-6;/h5H,1-4H2;/q-1;+1/t5-,6+;/m1./s1.
What are the key properties of potassium trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide?
potassium trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide has a molecular weight of 204.04 g/mol, XLogP of -0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide is sourced from PubChem (CID 155820118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).