1,4,5,5,6,6-hexamethyl-3,4-dihydropyridin-1-ium fluoride

C11H22FN — CID 122553753

IUPAC1,4,5,5,6,6-hexamethyl-3,4-dihydropyridin-1-ium fluoride
SMILESCC1CC=[N+](C)C(C)(C)C1(C)C.[F-]
InChIInChI=1S/C11H22N.FH/c1-9-7-8-12(6)11(4,5)10(9,2)3;/h8-9H,7H2,1-6H3;1H/q+1;/p-1
InChIKeyCFTXGIPEKRHWMC-UHFFFAOYSA-M
MW187.30 g/mol
LogP-0.45
Rot. Bonds

About 1,4,5,5,6,6-hexamethyl-3,4-dihydropyridin-1-ium fluoride

1,4,5,5,6,6-hexamethyl-3,4-dihydropyridin-1-ium fluoride (PubChem CID 122553753) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 1,4,5,5,6,6-hexamethyl-3,4-dihydropyridin-1-ium fluoride.

Molecular Properties

Compound Name1,4,5,5,6,6-hexamethyl-3,4-dihydropyridin-1-ium fluoride
PubChem CID122553753
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name1,4,5,5,6,6-hexamethyl-3,4-dihydropyridin-1-ium fluoride
SMILESCC1CC=[N+](C)C(C)(C)C1(C)C.[F-]
InChIInChI=1S/C11H22N.FH/c1-9-7-8-12(6)11(4,5)10(9,2)3;/h8-9H,7H2,1-6H3;1H/q+1;/p-1
InChIKeyCFTXGIPEKRHWMC-UHFFFAOYSA-M
XLogP-0.45
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,5,6,6-hexamethyl-3,4-dihydropyridin-1-ium fluoride?
The IUPAC name of 1,4,5,5,6,6-hexamethyl-3,4-dihydropyridin-1-ium fluoride (CID 122553753) is 1,4,5,5,6,6-hexamethyl-3,4-dihydropyridin-1-ium fluoride.
What is the SMILES notation for 1,4,5,5,6,6-hexamethyl-3,4-dihydropyridin-1-ium fluoride?
The canonical SMILES for 1,4,5,5,6,6-hexamethyl-3,4-dihydropyridin-1-ium fluoride is CC1CC=[N+](C)C(C)(C)C1(C)C.[F-].
What is the InChIKey of 1,4,5,5,6,6-hexamethyl-3,4-dihydropyridin-1-ium fluoride?
The InChIKey is CFTXGIPEKRHWMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22N.FH/c1-9-7-8-12(6)11(4,5)10(9,2)3;/h8-9H,7H2,1-6H3;1H/q+1;/p-1.
What are the key properties of 1,4,5,5,6,6-hexamethyl-3,4-dihydropyridin-1-ium fluoride?
1,4,5,5,6,6-hexamethyl-3,4-dihydropyridin-1-ium fluoride has a molecular weight of 187.30 g/mol, XLogP of -0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,5,6,6-hexamethyl-3,4-dihydropyridin-1-ium fluoride is sourced from PubChem (CID 122553753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).