potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide

C9H17BF3KN2O2 — CID 83104637

IUPACpotassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide
SMILESCC(C)NC(=O)C1COCCN1C[B-](F)(F)F.[K+]
InChIInChI=1S/C9H17BF3N2O2.K/c1-7(2)14-9(16)8-5-17-4-3-15(8)6-10(11,12)13;/h7-8H,3-6H2,1-2H3,(H,14,16);/q-1;+1
InChIKeyNNQKKXYJERVTLI-UHFFFAOYSA-N
MW292.15 g/mol
LogP-2.40
Rot. Bonds4

About potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide

potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide (PubChem CID 83104637) has the molecular formula C9H17BF3KN2O2 and a molecular weight of 292.15 g/mol. Its IUPAC name is potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide
PubChem CID83104637
Molecular FormulaC9H17BF3KN2O2
Molecular Weight292.15 g/mol
Exact Mass292.10
IUPAC Namepotassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide
SMILESCC(C)NC(=O)C1COCCN1C[B-](F)(F)F.[K+]
InChIInChI=1S/C9H17BF3N2O2.K/c1-7(2)14-9(16)8-5-17-4-3-15(8)6-10(11,12)13;/h7-8H,3-6H2,1-2H3,(H,14,16);/q-1;+1
InChIKeyNNQKKXYJERVTLI-UHFFFAOYSA-N
XLogP-2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 5-2.40
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-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide
CID 83104353
4-(2-cyclopentyl-2-oxoethyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 104751052
4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103304
4-[2-oxo-2-(oxolan-3-yl)ethyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 104751051
4-[2-(tert-butylamino)ethyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107446496
ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate
CID 83103448
N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 118118161
(3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 140959044
4-(2-carbamothioyl-3,3,3-trifluoropropyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 103368813
4-(6-hydrazinyl-6-oxohexyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105862
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196
4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107155

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide?
The IUPAC name of potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide (CID 83104637) is potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide?
The canonical SMILES for potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide is CC(C)NC(=O)C1COCCN1C[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide?
The InChIKey is NNQKKXYJERVTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BF3N2O2.K/c1-7(2)14-9(16)8-5-17-4-3-15(8)6-10(11,12)13;/h7-8H,3-6H2,1-2H3,(H,14,16);/q-1;+1.
What are the key properties of potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide?
potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide has a molecular weight of 292.15 g/mol, XLogP of -2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide is sourced from PubChem (CID 83104637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).