potassium trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide

C10H18BF3KN — CID 106746071

IUPACpotassium trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCCC(C)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H18BF3N.K/c1-9-4-3-6-15(7-5-9)8-10(2)11(12,13)14;/h9H,2-8H2,1H3;/q-1;+1
InChIKeyJIJHUTINHLOJBW-UHFFFAOYSA-N
MW259.16 g/mol
LogP0.06
Rot. Bonds3

About potassium trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide

potassium trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide (PubChem CID 106746071) has the molecular formula C10H18BF3KN and a molecular weight of 259.16 g/mol. Its IUPAC name is potassium trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide
PubChem CID106746071
Molecular FormulaC10H18BF3KN
Molecular Weight259.16 g/mol
Exact Mass259.11
IUPAC Namepotassium trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCCC(C)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H18BF3N.K/c1-9-4-3-6-15(7-5-9)8-10(2)11(12,13)14;/h9H,2-8H2,1H3;/q-1;+1
InChIKeyJIJHUTINHLOJBW-UHFFFAOYSA-N
XLogP0.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 50.06
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-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide (CID 106746071) is potassium trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide is C=C(CN1CCCC(C)CC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide?
The InChIKey is JIJHUTINHLOJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BF3N.K/c1-9-4-3-6-15(7-5-9)8-10(2)11(12,13)14;/h9H,2-8H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide has a molecular weight of 259.16 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-(4-methylazepan-1-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).