trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide

C7H14BF3NO- — CID 63702796

IUPACtrifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide
SMILESCN(C[B-](F)(F)F)C1CCOCC1
InChIInChI=1S/C7H14BF3NO/c1-12(6-8(9,10)11)7-2-4-13-5-3-7/h7H,2-6H2,1H3/q-1
InChIKeyXRLOKNMOQJGIFM-UHFFFAOYSA-N
MW196.00 g/mol
LogP1.48
Rot. Bonds3

About trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide

trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide (PubChem CID 63702796) has the molecular formula C7H14BF3NO- and a molecular weight of 196.00 g/mol. Its IUPAC name is trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide
PubChem CID63702796
Molecular FormulaC7H14BF3NO-
Molecular Weight196.00 g/mol
Exact Mass196.11
IUPAC Nametrifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide
SMILESCN(C[B-](F)(F)F)C1CCOCC1
InChIInChI=1S/C7H14BF3NO/c1-12(6-8(9,10)11)7-2-4-13-5-3-7/h7H,2-6H2,1H3/q-1
InChIKeyXRLOKNMOQJGIFM-UHFFFAOYSA-N
XLogP1.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.00
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethyltetrahydro-2H-pyran-4-amine
CID 10176150
3-fluoro-N,N-dimethyloxan-4-amine
CID 58035392
N-methanidyl-N-methyloxan-4-amine
CID 59835792
Potassium trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide
CID 63702795

Frequently Asked Questions

What is the IUPAC name of trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide?
The IUPAC name of trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide (CID 63702796) is trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide.
What is the SMILES notation for trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide?
The canonical SMILES for trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide is CN(C[B-](F)(F)F)C1CCOCC1.
What is the InChIKey of trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide?
The InChIKey is XRLOKNMOQJGIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BF3NO/c1-12(6-8(9,10)11)7-2-4-13-5-3-7/h7H,2-6H2,1H3/q-1.
What are the key properties of trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide?
trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide has a molecular weight of 196.00 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide is sourced from PubChem (CID 63702796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).