potassium trifluoro-(3-hydroxy-3-methylcyclobutyl)boranuide

C5H9BF3KO — CID 55297001

IUPACpotassium trifluoro-(3-hydroxy-3-methylcyclobutyl)boranuide
SMILESCC1(O)CC([B-](F)(F)F)C1.[K+]
InChIInChI=1S/C5H9BF3O.K/c1-5(10)2-4(3-5)6(7,8)9;/h4,10H,2-3H2,1H3;/q-1;+1
InChIKeyMBZOBFPLUBGHSO-UHFFFAOYSA-N
MW192.03 g/mol
LogP-1.25
Rot. Bonds1

About potassium trifluoro-(3-hydroxy-3-methylcyclobutyl)boranuide

potassium trifluoro-(3-hydroxy-3-methylcyclobutyl)boranuide (PubChem CID 55297001) has the molecular formula C5H9BF3KO and a molecular weight of 192.03 g/mol. Its IUPAC name is potassium trifluoro-(3-hydroxy-3-methylcyclobutyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(3-hydroxy-3-methylcyclobutyl)boranuide
PubChem CID55297001
Molecular FormulaC5H9BF3KO
Molecular Weight192.03 g/mol
Exact Mass192.03
IUPAC Namepotassium trifluoro-(3-hydroxy-3-methylcyclobutyl)boranuide
SMILESCC1(O)CC([B-](F)(F)F)C1.[K+]
InChIInChI=1S/C5H9BF3O.K/c1-5(10)2-4(3-5)6(7,8)9;/h4,10H,2-3H2,1H3;/q-1;+1
InChIKeyMBZOBFPLUBGHSO-UHFFFAOYSA-N
XLogP-1.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.03
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
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 potassium trifluoro-(3-hydroxy-3-methylcyclobutyl)boranuide?
The IUPAC name of potassium trifluoro-(3-hydroxy-3-methylcyclobutyl)boranuide (CID 55297001) is potassium trifluoro-(3-hydroxy-3-methylcyclobutyl)boranuide.
What is the SMILES notation for potassium trifluoro-(3-hydroxy-3-methylcyclobutyl)boranuide?
The canonical SMILES for potassium trifluoro-(3-hydroxy-3-methylcyclobutyl)boranuide is CC1(O)CC([B-](F)(F)F)C1.[K+].
What is the InChIKey of potassium trifluoro-(3-hydroxy-3-methylcyclobutyl)boranuide?
The InChIKey is MBZOBFPLUBGHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BF3O.K/c1-5(10)2-4(3-5)6(7,8)9;/h4,10H,2-3H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-(3-hydroxy-3-methylcyclobutyl)boranuide?
potassium trifluoro-(3-hydroxy-3-methylcyclobutyl)boranuide has a molecular weight of 192.03 g/mol, XLogP of -1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(3-hydroxy-3-methylcyclobutyl)boranuide is sourced from PubChem (CID 55297001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).