cyclohexyl(dimethyl)azanium tritetrafluoroborate

C8H18B3F12N-2 — CID 170457833

IUPACcyclohexyl(dimethyl)azanium tritetrafluoroborate
SMILESC[NH+](C)C1CCCCC1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C8H17N.3BF4/c1-9(2)8-6-4-3-5-7-8;3*2-1(3,4)5/h8H,3-7H2,1-2H3;;;/q;3*-1/p+1
InChIKeyRWESCJJMFNMCTM-UHFFFAOYSA-O
MW388.65 g/mol
LogP4.36
Rot. Bonds1

About cyclohexyl(dimethyl)azanium tritetrafluoroborate

cyclohexyl(dimethyl)azanium tritetrafluoroborate (PubChem CID 170457833) has the molecular formula C8H18B3F12N-2 and a molecular weight of 388.65 g/mol. Its IUPAC name is cyclohexyl(dimethyl)azanium tritetrafluoroborate.

Molecular Properties

Compound Namecyclohexyl(dimethyl)azanium tritetrafluoroborate
PubChem CID170457833
Molecular FormulaC8H18B3F12N-2
Molecular Weight388.65 g/mol
Exact Mass389.15
IUPAC Namecyclohexyl(dimethyl)azanium tritetrafluoroborate
SMILESC[NH+](C)C1CCCCC1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C8H17N.3BF4/c1-9(2)8-6-4-3-5-7-8;3*2-1(3,4)5/h8H,3-7H2,1-2H3;;;/q;3*-1/p+1
InChIKeyRWESCJJMFNMCTM-UHFFFAOYSA-O
XLogP4.36
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.65
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 68502985
cyclohexyl(dimethyl)azanium;tetrakis(3,4,6-trifluoro-2-methylphenyl)boranuide
CID 87935599
cyclohexyl(trimethyl)azanium tetrafluoroborate
CID 139649769
tert-butyl(dicyclohexyl)phosphanium tetrafluoroborate
CID 45141708
dicyclohexyl(2-dicyclohexylphosphanylpropan-2-yl)phosphane;hydron;ditetrafluoroborate
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CID 46216941
hydron;tricyclopentylphosphane;tetrafluoroborate
CID 154733786
bis(methanedithiolate);tetrakis(methylcyclopentane);tetrakis(molybdenum(2+));sulfanide;ditetrafluoroborate
CID 23231762
carbon monoxide;cyclohexylphosphane;bis(cyclopentane);iron;iron(2+);tetrafluoroborate
CID 23280756
cyclohexanol;methanol
CID 18353815
CID 157040931
CID 157040931
1,3-dicyclohexyl-2H-imidazole tetrafluoroborate
CID 174863635

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(dimethyl)azanium tritetrafluoroborate?
The IUPAC name of cyclohexyl(dimethyl)azanium tritetrafluoroborate (CID 170457833) is cyclohexyl(dimethyl)azanium tritetrafluoroborate.
What is the SMILES notation for cyclohexyl(dimethyl)azanium tritetrafluoroborate?
The canonical SMILES for cyclohexyl(dimethyl)azanium tritetrafluoroborate is C[NH+](C)C1CCCCC1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.
What is the InChIKey of cyclohexyl(dimethyl)azanium tritetrafluoroborate?
The InChIKey is RWESCJJMFNMCTM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17N.3BF4/c1-9(2)8-6-4-3-5-7-8;3*2-1(3,4)5/h8H,3-7H2,1-2H3;;;/q;3*-1/p+1.
What are the key properties of cyclohexyl(dimethyl)azanium tritetrafluoroborate?
cyclohexyl(dimethyl)azanium tritetrafluoroborate has a molecular weight of 388.65 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(dimethyl)azanium tritetrafluoroborate is sourced from PubChem (CID 170457833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).