potassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide

C9H16BF3KNO — CID 106746265

IUPACpotassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1C[C@@H](C)O[C@@H](C)C1)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H16BF3NO.K/c1-7(10(11,12)13)4-14-5-8(2)15-9(3)6-14;/h8-9H,1,4-6H2,2-3H3;/q-1;+1/t8-,9+;
InChIKeyODMJAOXJFZIAFT-UFIFRZAQSA-N
MW261.14 g/mol
LogP-0.96
Rot. Bonds3

About potassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide

potassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106746265) has the molecular formula C9H16BF3KNO and a molecular weight of 261.14 g/mol. Its IUPAC name is potassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide
PubChem CID106746265
Molecular FormulaC9H16BF3KNO
Molecular Weight261.14 g/mol
Exact Mass261.09
IUPAC Namepotassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1C[C@@H](C)O[C@@H](C)C1)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H16BF3NO.K/c1-7(10(11,12)13)4-14-5-8(2)15-9(3)6-14;/h8-9H,1,4-6H2,2-3H3;/q-1;+1/t8-,9+;
InChIKeyODMJAOXJFZIAFT-UFIFRZAQSA-N
XLogP-0.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trifluoro-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)prop-1-en-2-yl]boranuide
CID 106746152
3-(2,5-dimethylmorpholin-4-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106745724
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068847
methyl 2-(2,6-dimethylmorpholin-4-yl)acetate
CID 22198251
1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one
CID 43219275
potassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide
CID 102938204
(2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine
CID 53215608
trifluoro-[3-(2-methylpyrrolidin-1-yl)prop-1-en-2-yl]boranuide
CID 106745541
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one
CID 107507566
(2,6-dimethylmorpholin-4-yl)methanethiol
CID 90819554
2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone
CID 82051054
[(2R,6S)-2,6-dimethylmorpholin-4-yl]methylhydrazine
CID 135371518

Frequently Asked Questions

What is the IUPAC name of potassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of potassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide (CID 106746265) is potassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for potassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for potassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide is C=C(CN1C[C@@H](C)O[C@@H](C)C1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is ODMJAOXJFZIAFT-UFIFRZAQSA-N. The full InChI is InChI=1S/C9H16BF3NO.K/c1-7(10(11,12)13)4-14-5-8(2)15-9(3)6-14;/h8-9H,1,4-6H2,2-3H3;/q-1;+1/t8-,9+;.
What are the key properties of potassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide?
potassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 261.14 g/mol, XLogP of -0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106746265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).