4-bromo-N,N-dimethylaniline tetrafluoroborate

C8H10BBrF4N- — CID 175482314

IUPAC4-bromo-N,N-dimethylaniline tetrafluoroborate
SMILESCN(C)c1ccc(Br)cc1.F[B-](F)(F)F
InChIInChI=1S/C8H10BrN.BF4/c1-10(2)8-5-3-7(9)4-6-8;2-1(3,4)5/h3-6H,1-2H3;/q;-1
InChIKeySUPJYDNCCYQHLH-UHFFFAOYSA-N
MW286.88 g/mol
LogP3.82
Rot. Bonds1

About 4-bromo-N,N-dimethylaniline tetrafluoroborate

4-bromo-N,N-dimethylaniline tetrafluoroborate (PubChem CID 175482314) has the molecular formula C8H10BBrF4N- and a molecular weight of 286.88 g/mol. Its IUPAC name is 4-bromo-N,N-dimethylaniline tetrafluoroborate.

Molecular Properties

Compound Name4-bromo-N,N-dimethylaniline tetrafluoroborate
PubChem CID175482314
Molecular FormulaC8H10BBrF4N-
Molecular Weight286.88 g/mol
Exact Mass286.00
IUPAC Name4-bromo-N,N-dimethylaniline tetrafluoroborate
SMILESCN(C)c1ccc(Br)cc1.F[B-](F)(F)F
InChIInChI=1S/C8H10BrN.BF4/c1-10(2)8-5-3-7(9)4-6-8;2-1(3,4)5/h3-6H,1-2H3;/q;-1
InChIKeySUPJYDNCCYQHLH-UHFFFAOYSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.88
LogP ≤ 53.82
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 4-bromo-N,N-dimethylaniline tetrafluoroborate?
The IUPAC name of 4-bromo-N,N-dimethylaniline tetrafluoroborate (CID 175482314) is 4-bromo-N,N-dimethylaniline tetrafluoroborate.
What is the SMILES notation for 4-bromo-N,N-dimethylaniline tetrafluoroborate?
The canonical SMILES for 4-bromo-N,N-dimethylaniline tetrafluoroborate is CN(C)c1ccc(Br)cc1.F[B-](F)(F)F.
What is the InChIKey of 4-bromo-N,N-dimethylaniline tetrafluoroborate?
The InChIKey is SUPJYDNCCYQHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN.BF4/c1-10(2)8-5-3-7(9)4-6-8;2-1(3,4)5/h3-6H,1-2H3;/q;-1.
What are the key properties of 4-bromo-N,N-dimethylaniline tetrafluoroborate?
4-bromo-N,N-dimethylaniline tetrafluoroborate has a molecular weight of 286.88 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dimethylaniline tetrafluoroborate is sourced from PubChem (CID 175482314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).