potassium trifluoro(3-methylbutylsulfanylmethyl)boranuide

C6H13BF3KS — CID 107761100

IUPACpotassium trifluoro(3-methylbutylsulfanylmethyl)boranuide
SMILESCC(C)CCSC[B-](F)(F)F.[K+]
InChIInChI=1S/C6H13BF3S.K/c1-6(2)3-4-11-5-7(8,9)10;/h6H,3-5H2,1-2H3;/q-1;+1
InChIKeyYXIMXPCCZZCTCM-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.16
Rot. Bonds5

About potassium trifluoro(3-methylbutylsulfanylmethyl)boranuide

potassium trifluoro(3-methylbutylsulfanylmethyl)boranuide (PubChem CID 107761100) has the molecular formula C6H13BF3KS and a molecular weight of 224.14 g/mol. Its IUPAC name is potassium trifluoro(3-methylbutylsulfanylmethyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(3-methylbutylsulfanylmethyl)boranuide
PubChem CID107761100
Molecular FormulaC6H13BF3KS
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Namepotassium trifluoro(3-methylbutylsulfanylmethyl)boranuide
SMILESCC(C)CCSC[B-](F)(F)F.[K+]
InChIInChI=1S/C6H13BF3S.K/c1-6(2)3-4-11-5-7(8,9)10;/h6H,3-5H2,1-2H3;/q-1;+1
InChIKeyYXIMXPCCZZCTCM-UHFFFAOYSA-N
XLogP0.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Trifluoro(2-methylpropylsulfanylmethyl)boranuide
CID 63704974
Trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide
CID 107761097
Trifluoro(2-methylbutylsulfanylmethyl)boranuide
CID 107761099
Trifluoro(3-methylbutylsulfanylmethyl)boranuide
CID 107761101
CID 174039555
CID 174039555
Potassium butylsulfanylmethyl(trifluoro)boranuide
CID 63701833
Potassium trifluoro(propylsulfanylmethyl)boranuide
CID 63704708
Potassium butan-2-ylsulfanylmethyl(trifluoro)boranuide
CID 63704710
Potassium trifluoro(2-methylpropylsulfanylmethyl)boranuide
CID 63704973
Potassium trifluoro(pentylsulfanylmethyl)boranuide
CID 107761094
Potassium trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide
CID 107761096
Potassium trifluoro(2-methylbutylsulfanylmethyl)boranuide
CID 107761098

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(3-methylbutylsulfanylmethyl)boranuide?
The IUPAC name of potassium trifluoro(3-methylbutylsulfanylmethyl)boranuide (CID 107761100) is potassium trifluoro(3-methylbutylsulfanylmethyl)boranuide.
What is the SMILES notation for potassium trifluoro(3-methylbutylsulfanylmethyl)boranuide?
The canonical SMILES for potassium trifluoro(3-methylbutylsulfanylmethyl)boranuide is CC(C)CCSC[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro(3-methylbutylsulfanylmethyl)boranuide?
The InChIKey is YXIMXPCCZZCTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BF3S.K/c1-6(2)3-4-11-5-7(8,9)10;/h6H,3-5H2,1-2H3;/q-1;+1.
What are the key properties of potassium trifluoro(3-methylbutylsulfanylmethyl)boranuide?
potassium trifluoro(3-methylbutylsulfanylmethyl)boranuide has a molecular weight of 224.14 g/mol, XLogP of 0.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(3-methylbutylsulfanylmethyl)boranuide is sourced from PubChem (CID 107761100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).