potassium 3-(2-ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide

C11H20BF3KN — CID 106746241

IUPACpotassium 3-(2-ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCCCCC1CC)[B-](F)(F)F.[K+]
InChIInChI=1S/C11H20BF3N.K/c1-3-11-7-5-4-6-8-16(11)9-10(2)12(13,14)15;/h11H,2-9H2,1H3;/q-1;+1
InChIKeyTWDQDGOTLUJOLE-UHFFFAOYSA-N
MW273.19 g/mol
LogP0.59
Rot. Bonds4

About potassium 3-(2-ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide

potassium 3-(2-ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106746241) has the molecular formula C11H20BF3KN and a molecular weight of 273.19 g/mol. Its IUPAC name is potassium 3-(2-ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 3-(2-ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide
PubChem CID106746241
Molecular FormulaC11H20BF3KN
Molecular Weight273.19 g/mol
Exact Mass273.13
IUPAC Namepotassium 3-(2-ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCCCCC1CC)[B-](F)(F)F.[K+]
InChIInChI=1S/C11H20BF3N.K/c1-3-11-7-5-4-6-8-16(11)9-10(2)12(13,14)15;/h11H,2-9H2,1H3;/q-1;+1
InChIKeyTWDQDGOTLUJOLE-UHFFFAOYSA-N
XLogP0.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(Azepan-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 56655992
(2-Ethylazepan-1-yl)methyl-trifluoroboranuide
CID 104692633
3-[Cycloheptyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745758
Trifluoro-[3-(2-methylazepan-1-yl)prop-1-en-2-yl]boranuide
CID 106746106
3-(2-Ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746242
Potassium 3-(azepan-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 56655991
Potassium trifluoro-[(2-methylazepan-1-yl)methyl]boranuide
CID 64162959
Potassium (2-ethylazepan-1-yl)methyl-trifluoroboranuide
CID 104692632
Potassium 3-[cycloheptyl(methyl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745757
Potassium trifluoro-[3-[pentyl(propan-2-yl)amino]prop-1-en-2-yl]boranuide
CID 106745885
Potassium trifluoro-[3-(2-methylazepan-1-yl)prop-1-en-2-yl]boranuide
CID 106746105
Potassium trifluoro-[3-(2-propylpiperidin-1-yl)prop-1-en-2-yl]boranuide
CID 106746221

Frequently Asked Questions

What is the IUPAC name of potassium 3-(2-ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of potassium 3-(2-ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide (CID 106746241) is potassium 3-(2-ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for potassium 3-(2-ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for potassium 3-(2-ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide is C=C(CN1CCCCCC1CC)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-(2-ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is TWDQDGOTLUJOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BF3N.K/c1-3-11-7-5-4-6-8-16(11)9-10(2)12(13,14)15;/h11H,2-9H2,1H3;/q-1;+1.
What are the key properties of potassium 3-(2-ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide?
potassium 3-(2-ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 273.19 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(2-ethylazepan-1-yl)prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106746241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).