potassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide

C7H13BF3KN2O2 — CID 83104353

IUPACpotassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide
SMILESCNC(=O)C1COCCN1C[B-](F)(F)F.[K+]
InChIInChI=1S/C7H13BF3N2O2.K/c1-12-7(14)6-4-15-3-2-13(6)5-8(9,10)11;/h6H,2-5H2,1H3,(H,12,14);/q-1;+1
InChIKeyAUPPWLLBHKRCTG-UHFFFAOYSA-N
MW264.10 g/mol
LogP-3.18
Rot. Bonds3

About potassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide

potassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide (PubChem CID 83104353) has the molecular formula C7H13BF3KN2O2 and a molecular weight of 264.10 g/mol. Its IUPAC name is potassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide
PubChem CID83104353
Molecular FormulaC7H13BF3KN2O2
Molecular Weight264.10 g/mol
Exact Mass264.07
IUPAC Namepotassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide
SMILESCNC(=O)C1COCCN1C[B-](F)(F)F.[K+]
InChIInChI=1S/C7H13BF3N2O2.K/c1-12-7(14)6-4-15-3-2-13(6)5-8(9,10)11;/h6H,2-5H2,1H3,(H,12,14);/q-1;+1
InChIKeyAUPPWLLBHKRCTG-UHFFFAOYSA-N
XLogP-3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.10
LogP ≤ 5-3.18
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

potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide
CID 83104637
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-[2-(3,4-difluorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101984
4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83102810
4-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-N-methylmorpholine-3-carboxamide
CID 83105959
4-[2-(2-aminoethoxy)ethyl]-N-methylmorpholine-3-carboxamide
CID 103482268
4-[(3-carbamothioyl-5-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83098928
4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83106722
4-[2-(2-chlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103176
N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 83102887
4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101980
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 107113577

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide?
The IUPAC name of potassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide (CID 83104353) is potassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide?
The canonical SMILES for potassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide is CNC(=O)C1COCCN1C[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide?
The InChIKey is AUPPWLLBHKRCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BF3N2O2.K/c1-12-7(14)6-4-15-3-2-13(6)5-8(9,10)11;/h6H,2-5H2,1H3,(H,12,14);/q-1;+1.
What are the key properties of potassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide?
potassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide has a molecular weight of 264.10 g/mol, XLogP of -3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide is sourced from PubChem (CID 83104353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).