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

C8H16BF3NO2- — CID 114781915

IUPACtrifluoro-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]boranuide
SMILESCC1(C)CN(C[B-](F)(F)F)CC(CO)O1
InChIInChI=1S/C8H16BF3NO2/c1-8(2)5-13(6-9(10,11)12)3-7(4-14)15-8/h7,14H,3-6H2,1-2H3/q-1
InChIKeyWIJRWQMYOFRDMS-UHFFFAOYSA-N
MW226.03 g/mol
LogP0.84
Rot. Bonds3

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

trifluoro-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]boranuide (PubChem CID 114781915) has the molecular formula C8H16BF3NO2- and a molecular weight of 226.03 g/mol. Its IUPAC name is trifluoro-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]boranuide
PubChem CID114781915
Molecular FormulaC8H16BF3NO2-
Molecular Weight226.03 g/mol
Exact Mass226.12
IUPAC Nametrifluoro-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]boranuide
SMILESCC1(C)CN(C[B-](F)(F)F)CC(CO)O1
InChIInChI=1S/C8H16BF3NO2/c1-8(2)5-13(6-9(10,11)12)3-7(4-14)15-8/h7,14H,3-6H2,1-2H3/q-1
InChIKeyWIJRWQMYOFRDMS-UHFFFAOYSA-N
XLogP0.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 50.84
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-(2-Methylpropyl)morpholin-2-yl)methanol
CID 16769143
3-(Tert-butoxy)-1-morpholin-4-ylpropan-2-ol
CID 16456247
2-(2-(Hydroxymethyl)-6-methylmorpholin-4-yl)ethan-1-ol
CID 102934988
(4,6,6-Trimethylmorpholin-2-yl)methanol hydrochloride
CID 165659936
(4,6,6-Trimethylmorpholin-2-yl)methanol
CID 114779672
3-(Tert-butoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 16456251
Trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide
CID 79016153
[4-[3-(2,2,2-Trifluoroethoxy)propyl]morpholin-2-yl]methanol
CID 79833877
Trifluoro-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]boranuide
CID 81212113
1,1,1-Trifluoro-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol
CID 102935000
[6-Methyl-4-(3,3,3-trifluoropropyl)morpholin-2-yl]methanol
CID 102935503
[4-(2-Fluoroethyl)-6-methylmorpholin-2-yl]methanol
CID 102935509

Frequently Asked Questions

What is the IUPAC name of trifluoro-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]boranuide?
The IUPAC name of trifluoro-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]boranuide (CID 114781915) is trifluoro-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]boranuide.
What is the SMILES notation for trifluoro-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]boranuide?
The canonical SMILES for trifluoro-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]boranuide is CC1(C)CN(C[B-](F)(F)F)CC(CO)O1.
What is the InChIKey of trifluoro-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]boranuide?
The InChIKey is WIJRWQMYOFRDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BF3NO2/c1-8(2)5-13(6-9(10,11)12)3-7(4-14)15-8/h7,14H,3-6H2,1-2H3/q-1.
What are the key properties of trifluoro-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]boranuide?
trifluoro-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]boranuide has a molecular weight of 226.03 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]boranuide is sourced from PubChem (CID 114781915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).