1-difluoroboranyl-N,N-dimethylmethanamine

C3H8BF2N — CID 55297284

IUPAC1-difluoroboranyl-N,N-dimethylmethanamine
SMILESCN(C)CB(F)F
InChIInChI=1S/C3H8BF2N/c1-7(2)3-4(5)6/h3H2,1-2H3
InChIKeyFVIBTHPLUDHUKT-UHFFFAOYSA-N
MW106.91 g/mol
LogP0.51
Rot. Bonds2

About 1-difluoroboranyl-N,N-dimethylmethanamine

1-difluoroboranyl-N,N-dimethylmethanamine (PubChem CID 55297284) has the molecular formula C3H8BF2N and a molecular weight of 106.91 g/mol. Its IUPAC name is 1-difluoroboranyl-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-difluoroboranyl-N,N-dimethylmethanamine
PubChem CID55297284
Molecular FormulaC3H8BF2N
Molecular Weight106.91 g/mol
Exact Mass107.07
IUPAC Name1-difluoroboranyl-N,N-dimethylmethanamine
SMILESCN(C)CB(F)F
InChIInChI=1S/C3H8BF2N/c1-7(2)3-4(5)6/h3H2,1-2H3
InChIKeyFVIBTHPLUDHUKT-UHFFFAOYSA-N
XLogP0.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.91
LogP ≤ 50.51
H-Bond Donors ≤ 50
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 1-difluoroboranyl-N,N-dimethylmethanamine?
The IUPAC name of 1-difluoroboranyl-N,N-dimethylmethanamine (CID 55297284) is 1-difluoroboranyl-N,N-dimethylmethanamine.
What is the SMILES notation for 1-difluoroboranyl-N,N-dimethylmethanamine?
The canonical SMILES for 1-difluoroboranyl-N,N-dimethylmethanamine is CN(C)CB(F)F.
What is the InChIKey of 1-difluoroboranyl-N,N-dimethylmethanamine?
The InChIKey is FVIBTHPLUDHUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8BF2N/c1-7(2)3-4(5)6/h3H2,1-2H3.
What are the key properties of 1-difluoroboranyl-N,N-dimethylmethanamine?
1-difluoroboranyl-N,N-dimethylmethanamine has a molecular weight of 106.91 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-difluoroboranyl-N,N-dimethylmethanamine is sourced from PubChem (CID 55297284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).