bromomethyl(trimethyl)azanium tetrafluoroborate

C4H11BBrF4N — CID 139070071

IUPACbromomethyl(trimethyl)azanium tetrafluoroborate
SMILESC[N+](C)(C)CBr.F[B-](F)(F)F
InChIInChI=1S/C4H11BrN.BF4/c1-6(2,3)4-5;2-1(3,4)5/h4H2,1-3H3;/q+1;-1
InChIKeySKBHRYVFAFIDNK-UHFFFAOYSA-N
MW239.85 g/mol
LogP2.35
Rot. Bonds1

About bromomethyl(trimethyl)azanium tetrafluoroborate

bromomethyl(trimethyl)azanium tetrafluoroborate (PubChem CID 139070071) has the molecular formula C4H11BBrF4N and a molecular weight of 239.85 g/mol. Its IUPAC name is bromomethyl(trimethyl)azanium tetrafluoroborate.

Molecular Properties

Compound Namebromomethyl(trimethyl)azanium tetrafluoroborate
PubChem CID139070071
Molecular FormulaC4H11BBrF4N
Molecular Weight239.85 g/mol
Exact Mass239.01
IUPAC Namebromomethyl(trimethyl)azanium tetrafluoroborate
SMILESC[N+](C)(C)CBr.F[B-](F)(F)F
InChIInChI=1S/C4H11BrN.BF4/c1-6(2,3)4-5;2-1(3,4)5/h4H2,1-3H3;/q+1;-1
InChIKeySKBHRYVFAFIDNK-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.85
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromomethyl(trimethyl)azanium tetrafluoroborate?
The IUPAC name of bromomethyl(trimethyl)azanium tetrafluoroborate (CID 139070071) is bromomethyl(trimethyl)azanium tetrafluoroborate.
What is the SMILES notation for bromomethyl(trimethyl)azanium tetrafluoroborate?
The canonical SMILES for bromomethyl(trimethyl)azanium tetrafluoroborate is C[N+](C)(C)CBr.F[B-](F)(F)F.
What is the InChIKey of bromomethyl(trimethyl)azanium tetrafluoroborate?
The InChIKey is SKBHRYVFAFIDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11BrN.BF4/c1-6(2,3)4-5;2-1(3,4)5/h4H2,1-3H3;/q+1;-1.
What are the key properties of bromomethyl(trimethyl)azanium tetrafluoroborate?
bromomethyl(trimethyl)azanium tetrafluoroborate has a molecular weight of 239.85 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl(trimethyl)azanium tetrafluoroborate is sourced from PubChem (CID 139070071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).