bromo(trifluoro)boranuide;triethyl(methyl)azanium

C7H18BBrF3N — CID 140836561

IUPACbromo(trifluoro)boranuide;triethyl(methyl)azanium
SMILESCC[N+](C)(CC)CC.F[B-](F)(F)Br
InChIInChI=1S/C7H18N.BBrF3/c1-5-8(4,6-2)7-3;2-1(3,4)5/h5-7H2,1-4H3;/q+1;-1
InChIKeyTXDQYCSMMNQNQD-UHFFFAOYSA-N
MW263.94 g/mol
LogP3.22
Rot. Bonds3

About bromo(trifluoro)boranuide;triethyl(methyl)azanium

bromo(trifluoro)boranuide;triethyl(methyl)azanium (PubChem CID 140836561) has the molecular formula C7H18BBrF3N and a molecular weight of 263.94 g/mol. Its IUPAC name is bromo(trifluoro)boranuide;triethyl(methyl)azanium.

Molecular Properties

Compound Namebromo(trifluoro)boranuide;triethyl(methyl)azanium
PubChem CID140836561
Molecular FormulaC7H18BBrF3N
Molecular Weight263.94 g/mol
Exact Mass263.07
IUPAC Namebromo(trifluoro)boranuide;triethyl(methyl)azanium
SMILESCC[N+](C)(CC)CC.F[B-](F)(F)Br
InChIInChI=1S/C7H18N.BBrF3/c1-5-8(4,6-2)7-3;2-1(3,4)5/h5-7H2,1-4H3;/q+1;-1
InChIKeyTXDQYCSMMNQNQD-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.94
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

hydron;triethyl(methyl)azanium;tetrafluoroborate
CID 87302670
bromo(trichloro)boranuide;triethyl(methyl)azanium
CID 140836548
dibutyl-ethyl-methylazanium;hydron;tetrafluoroborate
CID 174806932
triethyl(methyl)azanium iodate
CID 158535675
ethane;tetraethylazanium;octatetrafluoroborate
CID 173127151
tetramethylazanium tetrafluoroborate
CID 12621
triethyl(methyl)azanium;trifluoro borate;iodide
CID 175209505
perchloric acid;triethyl(methyl)azanium
CID 87764447
ethyl-dimethyl-phenylazanium tetrafluoroborate
CID 139243462
methanesulfonic acid;triethyl(methyl)azanium
CID 87743130
bromomethyl-ethyl-methyl-propylazanium
CID 123781135
cyano(triethyl)azanium tetrafluoroborate
CID 22564450

Frequently Asked Questions

What is the IUPAC name of bromo(trifluoro)boranuide;triethyl(methyl)azanium?
The IUPAC name of bromo(trifluoro)boranuide;triethyl(methyl)azanium (CID 140836561) is bromo(trifluoro)boranuide;triethyl(methyl)azanium.
What is the SMILES notation for bromo(trifluoro)boranuide;triethyl(methyl)azanium?
The canonical SMILES for bromo(trifluoro)boranuide;triethyl(methyl)azanium is CC[N+](C)(CC)CC.F[B-](F)(F)Br.
What is the InChIKey of bromo(trifluoro)boranuide;triethyl(methyl)azanium?
The InChIKey is TXDQYCSMMNQNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N.BBrF3/c1-5-8(4,6-2)7-3;2-1(3,4)5/h5-7H2,1-4H3;/q+1;-1.
What are the key properties of bromo(trifluoro)boranuide;triethyl(methyl)azanium?
bromo(trifluoro)boranuide;triethyl(methyl)azanium has a molecular weight of 263.94 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(trifluoro)boranuide;triethyl(methyl)azanium is sourced from PubChem (CID 140836561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).