(2,2-dimethylmorpholin-4-ium-4-yl)methyl-trifluoroboranuide

C7H15BF3NO — CID 90313525

IUPAC(2,2-dimethylmorpholin-4-ium-4-yl)methyl-trifluoroboranuide
SMILESCC1(C)C[NH+](C[B-](F)(F)F)CCO1
InChIInChI=1S/C7H14BF3NO/c1-7(2)5-12(3-4-13-7)6-8(9,10)11/h3-6H2,1-2H3/q-1/p+1
InChIKeyCHDDJRKEOYJLFV-UHFFFAOYSA-O
MW197.01 g/mol
LogP0.07
Rot. Bonds2

About (2,2-dimethylmorpholin-4-ium-4-yl)methyl-trifluoroboranuide

(2,2-dimethylmorpholin-4-ium-4-yl)methyl-trifluoroboranuide (PubChem CID 90313525) has the molecular formula C7H15BF3NO and a molecular weight of 197.01 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-ium-4-yl)methyl-trifluoroboranuide.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-ium-4-yl)methyl-trifluoroboranuide
PubChem CID90313525
Molecular FormulaC7H15BF3NO
Molecular Weight197.01 g/mol
Exact Mass197.12
IUPAC Name(2,2-dimethylmorpholin-4-ium-4-yl)methyl-trifluoroboranuide
SMILESCC1(C)C[NH+](C[B-](F)(F)F)CCO1
InChIInChI=1S/C7H14BF3NO/c1-7(2)5-12(3-4-13-7)6-8(9,10)11/h3-6H2,1-2H3/q-1/p+1
InChIKeyCHDDJRKEOYJLFV-UHFFFAOYSA-O
XLogP0.07
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.01
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2,2-dimethylmorpholin-4-ium-4-yl)methyl-trifluoroboranuide?
The IUPAC name of (2,2-dimethylmorpholin-4-ium-4-yl)methyl-trifluoroboranuide (CID 90313525) is (2,2-dimethylmorpholin-4-ium-4-yl)methyl-trifluoroboranuide.
What is the SMILES notation for (2,2-dimethylmorpholin-4-ium-4-yl)methyl-trifluoroboranuide?
The canonical SMILES for (2,2-dimethylmorpholin-4-ium-4-yl)methyl-trifluoroboranuide is CC1(C)C[NH+](C[B-](F)(F)F)CCO1.
What is the InChIKey of (2,2-dimethylmorpholin-4-ium-4-yl)methyl-trifluoroboranuide?
The InChIKey is CHDDJRKEOYJLFV-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14BF3NO/c1-7(2)5-12(3-4-13-7)6-8(9,10)11/h3-6H2,1-2H3/q-1/p+1.
What are the key properties of (2,2-dimethylmorpholin-4-ium-4-yl)methyl-trifluoroboranuide?
(2,2-dimethylmorpholin-4-ium-4-yl)methyl-trifluoroboranuide has a molecular weight of 197.01 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-ium-4-yl)methyl-trifluoroboranuide is sourced from PubChem (CID 90313525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).