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

C7H14BF3NO2- — CID 102938205

IUPACtrifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide
SMILESCC1CN(C[B-](F)(F)F)CC(CO)O1
InChIInChI=1S/C7H14BF3NO2/c1-6-2-12(5-8(9,10)11)3-7(4-13)14-6/h6-7,13H,2-5H2,1H3/q-1
InChIKeyBFYFFWDPBJXWGQ-UHFFFAOYSA-N
MW212.00 g/mol
LogP0.45
Rot. Bonds3

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

trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide (PubChem CID 102938205) has the molecular formula C7H14BF3NO2- and a molecular weight of 212.00 g/mol. Its IUPAC name is trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide
PubChem CID102938205
Molecular FormulaC7H14BF3NO2-
Molecular Weight212.00 g/mol
Exact Mass212.11
IUPAC Nametrifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide
SMILESCC1CN(C[B-](F)(F)F)CC(CO)O1
InChIInChI=1S/C7H14BF3NO2/c1-6-2-12(5-8(9,10)11)3-7(4-13)14-6/h6-7,13H,2-5H2,1H3/q-1
InChIKeyBFYFFWDPBJXWGQ-UHFFFAOYSA-N
XLogP0.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.00
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide?
The IUPAC name of trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide (CID 102938205) is trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide.
What is the SMILES notation for trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide?
The canonical SMILES for trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide is CC1CN(C[B-](F)(F)F)CC(CO)O1.
What is the InChIKey of trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide?
The InChIKey is BFYFFWDPBJXWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BF3NO2/c1-6-2-12(5-8(9,10)11)3-7(4-13)14-6/h6-7,13H,2-5H2,1H3/q-1.
What are the key properties of trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide?
trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide has a molecular weight of 212.00 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide is sourced from PubChem (CID 102938205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).