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

C6H12BF3NO2- — CID 79016153

IUPACtrifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide
SMILESOCC1CN(C[B-](F)(F)F)CCO1
InChIInChI=1S/C6H12BF3NO2/c8-7(9,10)5-11-1-2-13-6(3-11)4-12/h6,12H,1-5H2/q-1
InChIKeyYJZSVJJIEZCEKL-UHFFFAOYSA-N
MW197.97 g/mol
LogP0.07
Rot. Bonds3

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

trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide (PubChem CID 79016153) has the molecular formula C6H12BF3NO2- and a molecular weight of 197.97 g/mol. Its IUPAC name is trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide
PubChem CID79016153
Molecular FormulaC6H12BF3NO2-
Molecular Weight197.97 g/mol
Exact Mass198.09
IUPAC Nametrifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide
SMILESOCC1CN(C[B-](F)(F)F)CCO1
InChIInChI=1S/C6H12BF3NO2/c8-7(9,10)5-11-1-2-13-6(3-11)4-12/h6,12H,1-5H2/q-1
InChIKeyYJZSVJJIEZCEKL-UHFFFAOYSA-N
XLogP0.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.97
LogP ≤ 50.07
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

potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide
CID 79681092
[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]methanol
CID 81219382
(4-prop-2-ynylmorpholin-2-yl)methanol
CID 79833462
potassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide
CID 102938204
2-[2-(hydroxymethyl)morpholin-4-yl]-1-pyrrolidin-1-ylethanone
CID 79840662
[4-[[4-(hydroxymethyl)oxan-4-yl]methyl]morpholin-2-yl]methanol
CID 81214239
[4-[[1-(hydroxymethyl)cyclopentyl]methyl]morpholin-2-yl]methanol
CID 81212944
(4-pent-4-ynylmorpholin-2-yl)methanol
CID 115873222
[(2S)-4-(oxolan-3-ylmethyl)morpholin-2-yl]methanol
CID 130137885
1-(azetidin-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 79832857
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856
4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoic acid
CID 81205300

Frequently Asked Questions

What is the IUPAC name of trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide?
The IUPAC name of trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide (CID 79016153) is trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide.
What is the SMILES notation for trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide?
The canonical SMILES for trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide is OCC1CN(C[B-](F)(F)F)CCO1.
What is the InChIKey of trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide?
The InChIKey is YJZSVJJIEZCEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BF3NO2/c8-7(9,10)5-11-1-2-13-6(3-11)4-12/h6,12H,1-5H2/q-1.
What are the key properties of trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide?
trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide has a molecular weight of 197.97 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide is sourced from PubChem (CID 79016153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).