[fluoro(pyrrolidin-1-yl)methylidene]-dimethylazanium

C7H14FN2+ — CID 11644966

IUPAC[fluoro(pyrrolidin-1-yl)methylidene]-dimethylazanium
SMILESC[N+](C)=C(F)N1CCCC1
InChIInChI=1S/C7H14FN2/c1-9(2)7(8)10-5-3-4-6-10/h3-6H2,1-2H3/q+1
InChIKeyVYMWRRZYRFMIFK-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.68
Rot. Bonds

About [fluoro(pyrrolidin-1-yl)methylidene]-dimethylazanium

[fluoro(pyrrolidin-1-yl)methylidene]-dimethylazanium (PubChem CID 11644966) has the molecular formula C7H14FN2+ and a molecular weight of 145.20 g/mol. Its IUPAC name is [fluoro(pyrrolidin-1-yl)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[fluoro(pyrrolidin-1-yl)methylidene]-dimethylazanium
PubChem CID11644966
Molecular FormulaC7H14FN2+
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name[fluoro(pyrrolidin-1-yl)methylidene]-dimethylazanium
SMILESC[N+](C)=C(F)N1CCCC1
InChIInChI=1S/C7H14FN2/c1-9(2)7(8)10-5-3-4-6-10/h3-6H2,1-2H3/q+1
InChIKeyVYMWRRZYRFMIFK-UHFFFAOYSA-N
XLogP0.68
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [fluoro(pyrrolidin-1-yl)methylidene]-dimethylazanium?
The IUPAC name of [fluoro(pyrrolidin-1-yl)methylidene]-dimethylazanium (CID 11644966) is [fluoro(pyrrolidin-1-yl)methylidene]-dimethylazanium.
What is the SMILES notation for [fluoro(pyrrolidin-1-yl)methylidene]-dimethylazanium?
The canonical SMILES for [fluoro(pyrrolidin-1-yl)methylidene]-dimethylazanium is C[N+](C)=C(F)N1CCCC1.
What is the InChIKey of [fluoro(pyrrolidin-1-yl)methylidene]-dimethylazanium?
The InChIKey is VYMWRRZYRFMIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN2/c1-9(2)7(8)10-5-3-4-6-10/h3-6H2,1-2H3/q+1.
What are the key properties of [fluoro(pyrrolidin-1-yl)methylidene]-dimethylazanium?
[fluoro(pyrrolidin-1-yl)methylidene]-dimethylazanium has a molecular weight of 145.20 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro(pyrrolidin-1-yl)methylidene]-dimethylazanium is sourced from PubChem (CID 11644966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).