2-butyl-1-heptylpyrrolidin-1-ium fluoride

C15H32FN — CID 171570289

IUPAC2-butyl-1-heptylpyrrolidin-1-ium fluoride
SMILESCCCCCCC[NH+]1CCCC1CCCC.[F-]
InChIInChI=1S/C15H31N.FH/c1-3-5-7-8-9-13-16-14-10-12-15(16)11-6-4-2;/h15H,3-14H2,1-2H3;1H
InChIKeyKSQRAZYYMJYLTF-UHFFFAOYSA-N
MW245.43 g/mol
LogP0.20
Rot. Bonds9

About 2-butyl-1-heptylpyrrolidin-1-ium fluoride

2-butyl-1-heptylpyrrolidin-1-ium fluoride (PubChem CID 171570289) has the molecular formula C15H32FN and a molecular weight of 245.43 g/mol. Its IUPAC name is 2-butyl-1-heptylpyrrolidin-1-ium fluoride.

Molecular Properties

Compound Name2-butyl-1-heptylpyrrolidin-1-ium fluoride
PubChem CID171570289
Molecular FormulaC15H32FN
Molecular Weight245.43 g/mol
Exact Mass245.25
IUPAC Name2-butyl-1-heptylpyrrolidin-1-ium fluoride
SMILESCCCCCCC[NH+]1CCCC1CCCC.[F-]
InChIInChI=1S/C15H31N.FH/c1-3-5-7-8-9-13-16-14-10-12-15(16)11-6-4-2;/h15H,3-14H2,1-2H3;1H
InChIKeyKSQRAZYYMJYLTF-UHFFFAOYSA-N
XLogP0.20
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-butyl-1-heptylpyrrolidin-1-ium 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-butyl-1-dodecylpyrrolidin-1-ium chloride
CID 171571110
2-butyl-1-dodecylpiperidin-1-ium chloride
CID 171570781
2-butyl-1-pentylpyrrolidin-1-ium cyanide
CID 171570457
2-butyl-1-dodecylpiperidin-1-ium cyanide
CID 171571571
1-butyl-2-propylpyrrolidin-1-ium fluoride
CID 171571217
1-hexyl-2-propylpiperidin-1-ium chloride
CID 171570151
2-butyl-1-undecylpiperidin-1-ium acetate
CID 171569825
2-butyl-1-nonylpyrrolidin-1-ium;trifluoromethanesulfonate
CID 171616069
2-butyl-1-pentylpiperidin-1-ium;methanesulfonate
CID 171570420
1-butyl-2-ethylpyrrolidin-1-ium fluoride
CID 171570086
methanesulfonate;1-pentyl-2-propylpyrrolidin-1-ium
CID 171571169
2-butyl-1-octylpiperidin-1-ium;trifluoromethanesulfonate
CID 171615485

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-heptylpyrrolidin-1-ium fluoride?
The IUPAC name of 2-butyl-1-heptylpyrrolidin-1-ium fluoride (CID 171570289) is 2-butyl-1-heptylpyrrolidin-1-ium fluoride.
What is the SMILES notation for 2-butyl-1-heptylpyrrolidin-1-ium fluoride?
The canonical SMILES for 2-butyl-1-heptylpyrrolidin-1-ium fluoride is CCCCCCC[NH+]1CCCC1CCCC.[F-].
What is the InChIKey of 2-butyl-1-heptylpyrrolidin-1-ium fluoride?
The InChIKey is KSQRAZYYMJYLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.FH/c1-3-5-7-8-9-13-16-14-10-12-15(16)11-6-4-2;/h15H,3-14H2,1-2H3;1H.
What are the key properties of 2-butyl-1-heptylpyrrolidin-1-ium fluoride?
2-butyl-1-heptylpyrrolidin-1-ium fluoride has a molecular weight of 245.43 g/mol, XLogP of 0.20, 9 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-heptylpyrrolidin-1-ium fluoride is sourced from PubChem (CID 171570289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).