benzyl(butyl)azanium fluoride

C11H18FN — CID 161148971

IUPACbenzyl(butyl)azanium fluoride
SMILESCCCC[NH2+]Cc1ccccc1.[F-]
InChIInChI=1S/C11H17N.FH/c1-2-3-9-12-10-11-7-5-4-6-8-11;/h4-8,12H,2-3,9-10H2,1H3;1H
InChIKeyUOKOGOFRRSEJCL-UHFFFAOYSA-N
MW183.27 g/mol
LogP-1.45
Rot. Bonds5

About benzyl(butyl)azanium fluoride

benzyl(butyl)azanium fluoride (PubChem CID 161148971) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is benzyl(butyl)azanium fluoride.

Molecular Properties

Compound Namebenzyl(butyl)azanium fluoride
PubChem CID161148971
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Namebenzyl(butyl)azanium fluoride
SMILESCCCC[NH2+]Cc1ccccc1.[F-]
InChIInChI=1S/C11H17N.FH/c1-2-3-9-12-10-11-7-5-4-6-8-11;/h4-8,12H,2-3,9-10H2,1H3;1H
InChIKeyUOKOGOFRRSEJCL-UHFFFAOYSA-N
XLogP-1.45
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzyl(butyl)azanium fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzylazaniumyl)ethyl-diethylazanium
CID 6993599
butyl-[[4-[10-[4-[(butylazaniumyl)methyl]phenoxy]decoxy]phenyl]methyl]azanium
CID 102584674
benzyl(18-methylnonadecyl)azanium bromide
CID 87651373
benzyl(18-methylnonadecyl)azanium chloride
CID 57375629
dibenzylazanium iodide
CID 15533239
benzyl-[(4-ethylphenyl)methyl]azanium
CID 7994180
octadecyl(2-phenylethyl)azanium chloride
CID 21249615
3-hydroxypropyl-[[4-(N-phenylanilino)phenyl]methyl]azanium
CID 9263274
benzyl-[2-(benzylamino)ethyl]azanium
CID 3553946
butyl(2-diphenylphosphanylethyl)azanium chloride
CID 11427235
hexakis(decane);ethylbenzene
CID 173398562
benzyl(pent-2-enyl)azanium hydroxide
CID 139905470

Frequently Asked Questions

What is the IUPAC name of benzyl(butyl)azanium fluoride?
The IUPAC name of benzyl(butyl)azanium fluoride (CID 161148971) is benzyl(butyl)azanium fluoride.
What is the SMILES notation for benzyl(butyl)azanium fluoride?
The canonical SMILES for benzyl(butyl)azanium fluoride is CCCC[NH2+]Cc1ccccc1.[F-].
What is the InChIKey of benzyl(butyl)azanium fluoride?
The InChIKey is UOKOGOFRRSEJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.FH/c1-2-3-9-12-10-11-7-5-4-6-8-11;/h4-8,12H,2-3,9-10H2,1H3;1H.
What are the key properties of benzyl(butyl)azanium fluoride?
benzyl(butyl)azanium fluoride has a molecular weight of 183.27 g/mol, XLogP of -1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(butyl)azanium fluoride is sourced from PubChem (CID 161148971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).