trifluoro-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]boranuide

C7H14BF3NO2- — CID 81212113

IUPACtrifluoro-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]boranuide
SMILESCC1COC(CO)CN1C[B-](F)(F)F
InChIInChI=1S/C7H14BF3NO2/c1-6-4-14-7(3-13)2-12(6)5-8(9,10)11/h6-7,13H,2-5H2,1H3/q-1
InChIKeyOYWGWDFJYISMHX-UHFFFAOYSA-N
MW212.00 g/mol
LogP0.45
Rot. Bonds3

About trifluoro-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]boranuide

trifluoro-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]boranuide (PubChem CID 81212113) has the molecular formula C7H14BF3NO2- and a molecular weight of 212.00 g/mol. Its IUPAC name is trifluoro-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]boranuide
PubChem CID81212113
Molecular FormulaC7H14BF3NO2-
Molecular Weight212.00 g/mol
Exact Mass212.11
IUPAC Nametrifluoro-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]boranuide
SMILESCC1COC(CO)CN1C[B-](F)(F)F
InChIInChI=1S/C7H14BF3NO2/c1-6-4-14-7(3-13)2-12(6)5-8(9,10)11/h6-7,13H,2-5H2,1H3/q-1
InChIKeyOYWGWDFJYISMHX-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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Related Compounds

(4-Methyl-2-morpholinyl)methanol
CID 13949887
4-(1-Methylethyl)-2-morpholinemethanol
CID 45096096
Trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide
CID 79016153
[4-(2-Fluoroethyl)-5-methylmorpholin-2-yl]methanol
CID 81213300
[5-Methyl-4-(3,3,3-trifluoropropyl)morpholin-2-yl]methanol
CID 81218663
1,1,1-Trifluoro-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol
CID 81218783
[5-Methyl-4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]methanol
CID 81218990
[4-(2,2-Difluoroethyl)-5-methylmorpholin-2-yl]methanol
CID 81219069
[4-(3-Fluoropropyl)-5-methylmorpholin-2-yl]methanol
CID 81219071
[5-Methyl-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholin-2-yl]methanol
CID 81219712
Trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide
CID 102938205
[5-Methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol
CID 114286845

Frequently Asked Questions

What is the IUPAC name of trifluoro-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]boranuide?
The IUPAC name of trifluoro-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]boranuide (CID 81212113) is trifluoro-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]boranuide.
What is the SMILES notation for trifluoro-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]boranuide?
The canonical SMILES for trifluoro-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]boranuide is CC1COC(CO)CN1C[B-](F)(F)F.
What is the InChIKey of trifluoro-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]boranuide?
The InChIKey is OYWGWDFJYISMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BF3NO2/c1-6-4-14-7(3-13)2-12(6)5-8(9,10)11/h6-7,13H,2-5H2,1H3/q-1.
What are the key properties of trifluoro-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]boranuide?
trifluoro-[[2-(hydroxymethyl)-5-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)-5-methylmorpholin-4-yl]methyl]boranuide is sourced from PubChem (CID 81212113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).