potassium 3-cyclopentylsulfanylprop-1-en-2-yl(trifluoro)boranuide

C8H13BF3KS — CID 106747029

IUPACpotassium 3-cyclopentylsulfanylprop-1-en-2-yl(trifluoro)boranuide
SMILESC=C(CSC1CCCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C8H13BF3S.K/c1-7(9(10,11)12)6-13-8-4-2-3-5-8;/h8H,1-6H2;/q-1;+1
InChIKeyGYTVTCYXTBGMMN-UHFFFAOYSA-N
MW248.16 g/mol
LogP0.61
Rot. Bonds4

About potassium 3-cyclopentylsulfanylprop-1-en-2-yl(trifluoro)boranuide

potassium 3-cyclopentylsulfanylprop-1-en-2-yl(trifluoro)boranuide (PubChem CID 106747029) has the molecular formula C8H13BF3KS and a molecular weight of 248.16 g/mol. Its IUPAC name is potassium 3-cyclopentylsulfanylprop-1-en-2-yl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium 3-cyclopentylsulfanylprop-1-en-2-yl(trifluoro)boranuide
PubChem CID106747029
Molecular FormulaC8H13BF3KS
Molecular Weight248.16 g/mol
Exact Mass248.04
IUPAC Namepotassium 3-cyclopentylsulfanylprop-1-en-2-yl(trifluoro)boranuide
SMILESC=C(CSC1CCCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C8H13BF3S.K/c1-7(9(10,11)12)6-13-8-4-2-3-5-8;/h8H,1-6H2;/q-1;+1
InChIKeyGYTVTCYXTBGMMN-UHFFFAOYSA-N
XLogP0.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 50.61
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 3-cyclopentylsulfanylprop-1-en-2-yl(trifluoro)boranuide?
The IUPAC name of potassium 3-cyclopentylsulfanylprop-1-en-2-yl(trifluoro)boranuide (CID 106747029) is potassium 3-cyclopentylsulfanylprop-1-en-2-yl(trifluoro)boranuide.
What is the SMILES notation for potassium 3-cyclopentylsulfanylprop-1-en-2-yl(trifluoro)boranuide?
The canonical SMILES for potassium 3-cyclopentylsulfanylprop-1-en-2-yl(trifluoro)boranuide is C=C(CSC1CCCC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-cyclopentylsulfanylprop-1-en-2-yl(trifluoro)boranuide?
The InChIKey is GYTVTCYXTBGMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BF3S.K/c1-7(9(10,11)12)6-13-8-4-2-3-5-8;/h8H,1-6H2;/q-1;+1.
What are the key properties of potassium 3-cyclopentylsulfanylprop-1-en-2-yl(trifluoro)boranuide?
potassium 3-cyclopentylsulfanylprop-1-en-2-yl(trifluoro)boranuide has a molecular weight of 248.16 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-cyclopentylsulfanylprop-1-en-2-yl(trifluoro)boranuide is sourced from PubChem (CID 106747029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).