potassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide

C7H14BF3KNO2 — CID 102938204

IUPACpotassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide
SMILESCC1CN(C[B-](F)(F)F)CC(CO)O1.[K+]
InChIInChI=1S/C7H14BF3NO2.K/c1-6-2-12(5-8(9,10)11)3-7(4-13)14-6;/h6-7,13H,2-5H2,1H3;/q-1;+1
InChIKeyLSYSEILBFJCHJY-UHFFFAOYSA-N
MW251.10 g/mol
LogP-2.54
Rot. Bonds3

About potassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide

potassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide (PubChem CID 102938204) has the molecular formula C7H14BF3KNO2 and a molecular weight of 251.10 g/mol. Its IUPAC name is potassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide
PubChem CID102938204
Molecular FormulaC7H14BF3KNO2
Molecular Weight251.10 g/mol
Exact Mass251.07
IUPAC Namepotassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide
SMILESCC1CN(C[B-](F)(F)F)CC(CO)O1.[K+]
InChIInChI=1S/C7H14BF3NO2.K/c1-6-2-12(5-8(9,10)11)3-7(4-13)14-6;/h6-7,13H,2-5H2,1H3;/q-1;+1
InChIKeyLSYSEILBFJCHJY-UHFFFAOYSA-N
XLogP-2.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.10
LogP ≤ 5-2.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-Methyl-2-morpholinyl)methanol
CID 13949887
1-(4-Methylmorpholin-2-yl)ethan-1-ol
CID 70032131
[(2R)-4-methylmorpholin-2-yl]methanol hydrochloride
CID 170911184
(4-(2,2-Difluoroethyl)morpholin-2-yl)methanol
CID 79833213
Trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide
CID 79016153
[4-(2-Fluoroethyl)morpholin-2-yl]methanol
CID 80602497
Trifluoro-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]boranuide
CID 81212113
[4-(2,2,2-Trifluoroethyl)morpholin-2-yl]methanol
CID 82397971
[6-Methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol
CID 102935511
[4-(2,2-Difluoroethyl)-6-methylmorpholin-2-yl]methanol
CID 102935881
Trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide
CID 102938205
Trifluoro-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]boranuide
CID 114781915

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide?
The IUPAC name of potassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide (CID 102938204) is potassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide?
The canonical SMILES for potassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide is CC1CN(C[B-](F)(F)F)CC(CO)O1.[K+].
What is the InChIKey of potassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide?
The InChIKey is LSYSEILBFJCHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BF3NO2.K/c1-6-2-12(5-8(9,10)11)3-7(4-13)14-6;/h6-7,13H,2-5H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide?
potassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide has a molecular weight of 251.10 g/mol, XLogP of -2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide is sourced from PubChem (CID 102938204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).