potassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide

C13H15BF3K — CID 121225738

IUPACpotassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide
SMILESF[B-](F)(F)C1C2CCC(C2)C1c1ccccc1.[K+]
InChIInChI=1S/C13H15BF3.K/c15-14(16,17)13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9;/h1-5,10-13H,6-8H2;/q-1;+1
InChIKeySQSJMSYJKHPRKP-UHFFFAOYSA-N
MW278.17 g/mol
LogP1.42
Rot. Bonds2

About potassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide

potassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide (PubChem CID 121225738) has the molecular formula C13H15BF3K and a molecular weight of 278.17 g/mol. Its IUPAC name is potassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide
PubChem CID121225738
Molecular FormulaC13H15BF3K
Molecular Weight278.17 g/mol
Exact Mass278.09
IUPAC Namepotassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide
SMILESF[B-](F)(F)C1C2CCC(C2)C1c1ccccc1.[K+]
InChIInChI=1S/C13H15BF3.K/c15-14(16,17)13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9;/h1-5,10-13H,6-8H2;/q-1;+1
InChIKeySQSJMSYJKHPRKP-UHFFFAOYSA-N
XLogP1.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 potassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide?
The IUPAC name of potassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide (CID 121225738) is potassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide.
What is the SMILES notation for potassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide?
The canonical SMILES for potassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide is F[B-](F)(F)C1C2CCC(C2)C1c1ccccc1.[K+].
What is the InChIKey of potassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide?
The InChIKey is SQSJMSYJKHPRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BF3.K/c15-14(16,17)13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9;/h1-5,10-13H,6-8H2;/q-1;+1.
What are the key properties of potassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide?
potassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide has a molecular weight of 278.17 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide is sourced from PubChem (CID 121225738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).