potassium trifluoro(2-methylpropylsulfanylmethyl)boranuide

C5H11BF3KS — CID 63704973

IUPACpotassium trifluoro(2-methylpropylsulfanylmethyl)boranuide
SMILESCC(C)CSC[B-](F)(F)F.[K+]
InChIInChI=1S/C5H11BF3S.K/c1-5(2)3-10-4-6(7,8)9;/h5H,3-4H2,1-2H3;/q-1;+1
InChIKeyRLRORAMCXXKZDT-UHFFFAOYSA-N
MW210.11 g/mol
LogP-0.23
Rot. Bonds4

About potassium trifluoro(2-methylpropylsulfanylmethyl)boranuide

potassium trifluoro(2-methylpropylsulfanylmethyl)boranuide (PubChem CID 63704973) has the molecular formula C5H11BF3KS and a molecular weight of 210.11 g/mol. Its IUPAC name is potassium trifluoro(2-methylpropylsulfanylmethyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(2-methylpropylsulfanylmethyl)boranuide
PubChem CID63704973
Molecular FormulaC5H11BF3KS
Molecular Weight210.11 g/mol
Exact Mass210.03
IUPAC Namepotassium trifluoro(2-methylpropylsulfanylmethyl)boranuide
SMILESCC(C)CSC[B-](F)(F)F.[K+]
InChIInChI=1S/C5H11BF3S.K/c1-5(2)3-10-4-6(7,8)9;/h5H,3-4H2,1-2H3;/q-1;+1
InChIKeyRLRORAMCXXKZDT-UHFFFAOYSA-N
XLogP-0.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 5-0.23
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 trifluoro(2-methylpropylsulfanylmethyl)boranuide?
The IUPAC name of potassium trifluoro(2-methylpropylsulfanylmethyl)boranuide (CID 63704973) is potassium trifluoro(2-methylpropylsulfanylmethyl)boranuide.
What is the SMILES notation for potassium trifluoro(2-methylpropylsulfanylmethyl)boranuide?
The canonical SMILES for potassium trifluoro(2-methylpropylsulfanylmethyl)boranuide is CC(C)CSC[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro(2-methylpropylsulfanylmethyl)boranuide?
The InChIKey is RLRORAMCXXKZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BF3S.K/c1-5(2)3-10-4-6(7,8)9;/h5H,3-4H2,1-2H3;/q-1;+1.
What are the key properties of potassium trifluoro(2-methylpropylsulfanylmethyl)boranuide?
potassium trifluoro(2-methylpropylsulfanylmethyl)boranuide has a molecular weight of 210.11 g/mol, XLogP of -0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(2-methylpropylsulfanylmethyl)boranuide is sourced from PubChem (CID 63704973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).