potassium trifluoro-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide

C9H18BF3KN — CID 106745843

IUPACpotassium trifluoro-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)CCC(C)C)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H18BF3N.K/c1-8(2)5-6-14(4)7-9(3)10(11,12)13;/h8H,3,5-7H2,1-2,4H3;/q-1;+1
InChIKeyFNKKMGATVUQGTI-UHFFFAOYSA-N
MW247.15 g/mol
LogP-0.09
Rot. Bonds6

About potassium trifluoro-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide

potassium trifluoro-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide (PubChem CID 106745843) has the molecular formula C9H18BF3KN and a molecular weight of 247.15 g/mol. Its IUPAC name is potassium trifluoro-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide
PubChem CID106745843
Molecular FormulaC9H18BF3KN
Molecular Weight247.15 g/mol
Exact Mass247.11
IUPAC Namepotassium trifluoro-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)CCC(C)C)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H18BF3N.K/c1-8(2)5-6-14(4)7-9(3)10(11,12)13;/h8H,3,5-7H2,1-2,4H3;/q-1;+1
InChIKeyFNKKMGATVUQGTI-UHFFFAOYSA-N
XLogP-0.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 5-0.09
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-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide (CID 106745843) is potassium trifluoro-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide is C=C(CN(C)CCC(C)C)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide?
The InChIKey is FNKKMGATVUQGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BF3N.K/c1-8(2)5-6-14(4)7-9(3)10(11,12)13;/h8H,3,5-7H2,1-2,4H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide has a molecular weight of 247.15 g/mol, XLogP of -0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-[methyl(3-methylbutyl)amino]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106745843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).