potassium trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide

C8H14BF3KN — CID 56955004

IUPACpotassium trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide
SMILESC=CC(N1CCCCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C8H14BF3N.K/c1-2-8(9(10,11)12)13-6-4-3-5-7-13;/h2,8H,1,3-7H2;/q-1;+1
InChIKeyCLAQSAMYYZKFFK-UHFFFAOYSA-N
MW231.11 g/mol
LogP-0.58
Rot. Bonds3

About potassium trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide

potassium trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide (PubChem CID 56955004) has the molecular formula C8H14BF3KN and a molecular weight of 231.11 g/mol. Its IUPAC name is potassium trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide
PubChem CID56955004
Molecular FormulaC8H14BF3KN
Molecular Weight231.11 g/mol
Exact Mass231.08
IUPAC Namepotassium trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide
SMILESC=CC(N1CCCCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C8H14BF3N.K/c1-2-8(9(10,11)12)13-6-4-3-5-7-13;/h2,8H,1,3-7H2;/q-1;+1
InChIKeyCLAQSAMYYZKFFK-UHFFFAOYSA-N
XLogP-0.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide
CID 56955005
1-penta-1,4-dien-3-ylpiperidine;hydrochloride
CID 173077168
1,1-di(piperidin-1-yl)but-3-en-2-ylsilane
CID 174047782
1-(1,2,2-trifluoroethyl)pyrrolidine
CID 69400979
N-but-3-en-2-ylazepan-1-amine
CID 574624
1-(1-phenylprop-2-enyl)piperidine
CID 10932509
(methylideneamino)-piperidin-1-ylmethanol
CID 159673764
2-pyrrolidin-1-ylpropanedial
CID 130025725
ethene;1-propan-2-ylpiperidine
CID 177325228
ethane;1-(1-fluoroethyl)piperidine
CID 162429283
1-hept-1-en-3-ylpyrrolidine
CID 68589014
1-(1-methyliodanuidylethyl)piperidine
CID 163894930

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide?
The IUPAC name of potassium trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide (CID 56955004) is potassium trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide.
What is the SMILES notation for potassium trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide?
The canonical SMILES for potassium trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide is C=CC(N1CCCCC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide?
The InChIKey is CLAQSAMYYZKFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BF3N.K/c1-2-8(9(10,11)12)13-6-4-3-5-7-13;/h2,8H,1,3-7H2;/q-1;+1.
What are the key properties of potassium trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide?
potassium trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide has a molecular weight of 231.11 g/mol, XLogP of -0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(1-piperidin-1-ylprop-2-enyl)boranuide is sourced from PubChem (CID 56955004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).