potassium cyclohexylsulfanylmethyl(trifluoro)boranuide

C7H13BF3KS — CID 63702358

IUPACpotassium cyclohexylsulfanylmethyl(trifluoro)boranuide
SMILESF[B-](F)(F)CSC1CCCCC1.[K+]
InChIInChI=1S/C7H13BF3S.K/c9-8(10,11)6-12-7-4-2-1-3-5-7;/h7H,1-6H2;/q-1;+1
InChIKeyLOJXGVJETUUUFM-UHFFFAOYSA-N
MW236.15 g/mol
LogP0.44
Rot. Bonds3

About potassium cyclohexylsulfanylmethyl(trifluoro)boranuide

potassium cyclohexylsulfanylmethyl(trifluoro)boranuide (PubChem CID 63702358) has the molecular formula C7H13BF3KS and a molecular weight of 236.15 g/mol. Its IUPAC name is potassium cyclohexylsulfanylmethyl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium cyclohexylsulfanylmethyl(trifluoro)boranuide
PubChem CID63702358
Molecular FormulaC7H13BF3KS
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Namepotassium cyclohexylsulfanylmethyl(trifluoro)boranuide
SMILESF[B-](F)(F)CSC1CCCCC1.[K+]
InChIInChI=1S/C7H13BF3S.K/c9-8(10,11)6-12-7-4-2-1-3-5-7;/h7H,1-6H2;/q-1;+1
InChIKeyLOJXGVJETUUUFM-UHFFFAOYSA-N
XLogP0.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 50.44
H-Bond Donors ≤ 50
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 cyclohexylsulfanylmethyl(trifluoro)boranuide?
The IUPAC name of potassium cyclohexylsulfanylmethyl(trifluoro)boranuide (CID 63702358) is potassium cyclohexylsulfanylmethyl(trifluoro)boranuide.
What is the SMILES notation for potassium cyclohexylsulfanylmethyl(trifluoro)boranuide?
The canonical SMILES for potassium cyclohexylsulfanylmethyl(trifluoro)boranuide is F[B-](F)(F)CSC1CCCCC1.[K+].
What is the InChIKey of potassium cyclohexylsulfanylmethyl(trifluoro)boranuide?
The InChIKey is LOJXGVJETUUUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BF3S.K/c9-8(10,11)6-12-7-4-2-1-3-5-7;/h7H,1-6H2;/q-1;+1.
What are the key properties of potassium cyclohexylsulfanylmethyl(trifluoro)boranuide?
potassium cyclohexylsulfanylmethyl(trifluoro)boranuide has a molecular weight of 236.15 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium cyclohexylsulfanylmethyl(trifluoro)boranuide is sourced from PubChem (CID 63702358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).