[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane

C7H15BF2NO+ — CID 140808075

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane
SMILESC[C@@H]1C[NH+](CB(F)F)C[C@H](C)O1
InChIInChI=1S/C7H14BF2NO/c1-6-3-11(5-8(9)10)4-7(2)12-6/h6-7H,3-5H2,1-2H3/p+1/t6-,7+
InChIKeyUNYZEHAFPGKNPW-KNVOCYPGSA-O
MW178.01 g/mol
LogP-0.36
Rot. Bonds2

About [(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane

[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane (PubChem CID 140808075) has the molecular formula C7H15BF2NO+ and a molecular weight of 178.01 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane
PubChem CID140808075
Molecular FormulaC7H15BF2NO+
Molecular Weight178.01 g/mol
Exact Mass178.12
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane
SMILESC[C@@H]1C[NH+](CB(F)F)C[C@H](C)O1
InChIInChI=1S/C7H14BF2NO/c1-6-3-11(5-8(9)10)4-7(2)12-6/h6-7H,3-5H2,1-2H3/p+1/t6-,7+
InChIKeyUNYZEHAFPGKNPW-KNVOCYPGSA-O
XLogP-0.36
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.01
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane (CID 140808075) is [(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane is C[C@@H]1C[NH+](CB(F)F)C[C@H](C)O1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane?
The InChIKey is UNYZEHAFPGKNPW-KNVOCYPGSA-O. The full InChI is InChI=1S/C7H14BF2NO/c1-6-3-11(5-8(9)10)4-7(2)12-6/h6-7H,3-5H2,1-2H3/p+1/t6-,7+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane?
[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane has a molecular weight of 178.01 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane is sourced from PubChem (CID 140808075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).