potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide

C6H9BF3KN2O — CID 79681092

IUPACpotassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide
SMILESN#CC1CN(C[B-](F)(F)F)CCO1.[K+]
InChIInChI=1S/C6H9BF3N2O.K/c8-7(9,10)5-12-1-2-13-6(3-11)4-12;/h6H,1-2,4-5H2;/q-1;+1
InChIKeyUQRYSZXCJNBZMT-UHFFFAOYSA-N
MW232.05 g/mol
LogP-2.40
Rot. Bonds2

About potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide

potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide (PubChem CID 79681092) has the molecular formula C6H9BF3KN2O and a molecular weight of 232.05 g/mol. Its IUPAC name is potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide
PubChem CID79681092
Molecular FormulaC6H9BF3KN2O
Molecular Weight232.05 g/mol
Exact Mass232.04
IUPAC Namepotassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide
SMILESN#CC1CN(C[B-](F)(F)F)CCO1.[K+]
InChIInChI=1S/C6H9BF3N2O.K/c8-7(9,10)5-12-1-2-13-6(3-11)4-12;/h6H,1-2,4-5H2;/q-1;+1
InChIKeyUQRYSZXCJNBZMT-UHFFFAOYSA-N
XLogP-2.40
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 5-2.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluoroethyl)morpholine-2-carbonitrile
CID 80601541
4-(2,2-difluoroethyl)morpholine-2-carbonitrile
CID 78958703
trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide
CID 79016153
4-but-2-ynylmorpholine-2-carbonitrile
CID 112734337
4-(oxan-2-ylmethyl)morpholine-2-carbonitrile
CID 112734106
4-(2-oxobutyl)morpholine-2-carbonitrile
CID 79675265
4-[3-(methylamino)propyl]morpholine-2-carbonitrile
CID 79681736
4-(3-methoxypropyl)morpholine-2-carbonitrile
CID 112734096
methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate
CID 79674895
4-[[4-(trifluoromethyl)phenyl]methyl]morpholine-2-carbonitrile
CID 78946009
4-(2-phenylethyl)morpholine-2-carbonitrile
CID 79674801
4-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile
CID 103134228

Frequently Asked Questions

What is the IUPAC name of potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide?
The IUPAC name of potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide (CID 79681092) is potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide?
The canonical SMILES for potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide is N#CC1CN(C[B-](F)(F)F)CCO1.[K+].
What is the InChIKey of potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide?
The InChIKey is UQRYSZXCJNBZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BF3N2O.K/c8-7(9,10)5-12-1-2-13-6(3-11)4-12;/h6H,1-2,4-5H2;/q-1;+1.
What are the key properties of potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide?
potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide has a molecular weight of 232.05 g/mol, XLogP of -2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide is sourced from PubChem (CID 79681092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).