1-nonyl-1-propylpyrrolidin-1-ium fluoride

C16H34FN — CID 171570761

IUPAC1-nonyl-1-propylpyrrolidin-1-ium fluoride
SMILESCCCCCCCCC[N+]1(CCC)CCCC1.[F-]
InChIInChI=1S/C16H34N.FH/c1-3-5-6-7-8-9-10-14-17(13-4-2)15-11-12-16-17;/h3-16H2,1-2H3;1H/q+1;/p-1
InChIKeyISOFEKCCSJJXJC-UHFFFAOYSA-M
MW259.45 g/mol
LogP1.76
Rot. Bonds10

About 1-nonyl-1-propylpyrrolidin-1-ium fluoride

1-nonyl-1-propylpyrrolidin-1-ium fluoride (PubChem CID 171570761) has the molecular formula C16H34FN and a molecular weight of 259.45 g/mol. Its IUPAC name is 1-nonyl-1-propylpyrrolidin-1-ium fluoride.

Molecular Properties

Compound Name1-nonyl-1-propylpyrrolidin-1-ium fluoride
PubChem CID171570761
Molecular FormulaC16H34FN
Molecular Weight259.45 g/mol
Exact Mass259.27
IUPAC Name1-nonyl-1-propylpyrrolidin-1-ium fluoride
SMILESCCCCCCCCC[N+]1(CCC)CCCC1.[F-]
InChIInChI=1S/C16H34N.FH/c1-3-5-6-7-8-9-10-14-17(13-4-2)15-11-12-16-17;/h3-16H2,1-2H3;1H/q+1;/p-1
InChIKeyISOFEKCCSJJXJC-UHFFFAOYSA-M
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.45
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-octadecyl-1-propylpyrrolidin-1-ium
CID 69390349
1-decyl-1-propylpiperidin-1-ium
CID 171570313
1-octadecyl-1-[4-(1-octadecylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium
CID 122216104
1-hexadecyl-1-pentadecylpyrrolidin-1-ium
CID 69388333
1-propyl-1-[6-(1-propylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
CID 71247353
1-heptadecyl-1-octadecylpyrrolidin-1-ium
CID 69389776
1-heptyl-1-undecylpyrrolidin-1-ium
CID 69393872
1-nonadecyl-1-octadecylpyrrolidin-1-ium
CID 69388372
1-dodecyl-1-pentylpyrrolidin-1-ium
CID 69392906
1,1-di(nonadecyl)pyrrolidin-1-ium
CID 69397839
1-dodecyl-1-[6-(1-dodecylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
CID 102527529
1-butyl-1-heptadecylpyrrolidin-1-ium
CID 69388710

Frequently Asked Questions

What is the IUPAC name of 1-nonyl-1-propylpyrrolidin-1-ium fluoride?
The IUPAC name of 1-nonyl-1-propylpyrrolidin-1-ium fluoride (CID 171570761) is 1-nonyl-1-propylpyrrolidin-1-ium fluoride.
What is the SMILES notation for 1-nonyl-1-propylpyrrolidin-1-ium fluoride?
The canonical SMILES for 1-nonyl-1-propylpyrrolidin-1-ium fluoride is CCCCCCCCC[N+]1(CCC)CCCC1.[F-].
What is the InChIKey of 1-nonyl-1-propylpyrrolidin-1-ium fluoride?
The InChIKey is ISOFEKCCSJJXJC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H34N.FH/c1-3-5-6-7-8-9-10-14-17(13-4-2)15-11-12-16-17;/h3-16H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-nonyl-1-propylpyrrolidin-1-ium fluoride?
1-nonyl-1-propylpyrrolidin-1-ium fluoride has a molecular weight of 259.45 g/mol, XLogP of 1.76, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-1-propylpyrrolidin-1-ium fluoride is sourced from PubChem (CID 171570761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).