(1R)-2,2,2-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine

C8H15BF3NO2 — CID 171191029

IUPAC(1R)-2,2,2-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine
SMILESCC1(C)OB([C@@H](N)C(F)(F)F)OC1(C)C
InChIInChI=1S/C8H15BF3NO2/c1-6(2)7(3,4)15-9(14-6)5(13)8(10,11)12/h5H,13H2,1-4H3/t5-/m0/s1
InChIKeyAOELOQDSNDEOMM-YFKPBYRVSA-N
MW225.02 g/mol
LogP1.51
Rot. Bonds1

About (1R)-2,2,2-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine

(1R)-2,2,2-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine (PubChem CID 171191029) has the molecular formula C8H15BF3NO2 and a molecular weight of 225.02 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine
PubChem CID171191029
Molecular FormulaC8H15BF3NO2
Molecular Weight225.02 g/mol
Exact Mass225.11
IUPAC Name(1R)-2,2,2-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine
SMILESCC1(C)OB([C@@H](N)C(F)(F)F)OC1(C)C
InChIInChI=1S/C8H15BF3NO2/c1-6(2)7(3,4)15-9(14-6)5(13)8(10,11)12/h5H,13H2,1-4H3/t5-/m0/s1
InChIKeyAOELOQDSNDEOMM-YFKPBYRVSA-N
XLogP1.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.02
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1R)-2,2,2-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine (CID 171191029) is (1R)-2,2,2-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine is CC1(C)OB([C@@H](N)C(F)(F)F)OC1(C)C.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine?
The InChIKey is AOELOQDSNDEOMM-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H15BF3NO2/c1-6(2)7(3,4)15-9(14-6)5(13)8(10,11)12/h5H,13H2,1-4H3/t5-/m0/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine?
(1R)-2,2,2-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine has a molecular weight of 225.02 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine is sourced from PubChem (CID 171191029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).