2-methylpropan-2-amine;trifluoroborane

C4H11BF3N — CID 175302179

IUPAC2-methylpropan-2-amine;trifluoroborane
SMILESCC(C)(C)N.FB(F)F
InChIInChI=1S/C4H11N.BF3/c1-4(2,3)5;2-1(3)4/h5H2,1-3H3;
InChIKeyDXPSUIIJOUJVQH-UHFFFAOYSA-N
MW140.94 g/mol
LogP1.62
Rot. Bonds

About 2-methylpropan-2-amine;trifluoroborane

2-methylpropan-2-amine;trifluoroborane (PubChem CID 175302179) has the molecular formula C4H11BF3N and a molecular weight of 140.94 g/mol. Its IUPAC name is 2-methylpropan-2-amine;trifluoroborane.

Molecular Properties

Compound Name2-methylpropan-2-amine;trifluoroborane
PubChem CID175302179
Molecular FormulaC4H11BF3N
Molecular Weight140.94 g/mol
Exact Mass141.09
IUPAC Name2-methylpropan-2-amine;trifluoroborane
SMILESCC(C)(C)N.FB(F)F
InChIInChI=1S/C4H11N.BF3/c1-4(2,3)5;2-1(3)4/h5H2,1-3H3;
InChIKeyDXPSUIIJOUJVQH-UHFFFAOYSA-N
XLogP1.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.94
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylpropan-2-amine;trifluoroborane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-amine;trifluoroborane?
The IUPAC name of 2-methylpropan-2-amine;trifluoroborane (CID 175302179) is 2-methylpropan-2-amine;trifluoroborane.
What is the SMILES notation for 2-methylpropan-2-amine;trifluoroborane?
The canonical SMILES for 2-methylpropan-2-amine;trifluoroborane is CC(C)(C)N.FB(F)F.
What is the InChIKey of 2-methylpropan-2-amine;trifluoroborane?
The InChIKey is DXPSUIIJOUJVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.BF3/c1-4(2,3)5;2-1(3)4/h5H2,1-3H3;.
What are the key properties of 2-methylpropan-2-amine;trifluoroborane?
2-methylpropan-2-amine;trifluoroborane has a molecular weight of 140.94 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-amine;trifluoroborane is sourced from PubChem (CID 175302179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).