[fluoro(morpholin-4-yl)methylidene]-dimethylazanium

C7H14FN2O+ — CID 24853903

IUPAC[fluoro(morpholin-4-yl)methylidene]-dimethylazanium
SMILESC[N+](C)=C(F)N1CCOCC1
InChIInChI=1S/C7H14FN2O/c1-9(2)7(8)10-3-5-11-6-4-10/h3-6H2,1-2H3/q+1
InChIKeyYQCSGQYPTRYDAD-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.08
Rot. Bonds

About [fluoro(morpholin-4-yl)methylidene]-dimethylazanium

[fluoro(morpholin-4-yl)methylidene]-dimethylazanium (PubChem CID 24853903) has the molecular formula C7H14FN2O+ and a molecular weight of 161.20 g/mol. Its IUPAC name is [fluoro(morpholin-4-yl)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[fluoro(morpholin-4-yl)methylidene]-dimethylazanium
PubChem CID24853903
Molecular FormulaC7H14FN2O+
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name[fluoro(morpholin-4-yl)methylidene]-dimethylazanium
SMILESC[N+](C)=C(F)N1CCOCC1
InChIInChI=1S/C7H14FN2O/c1-9(2)7(8)10-3-5-11-6-4-10/h3-6H2,1-2H3/q+1
InChIKeyYQCSGQYPTRYDAD-UHFFFAOYSA-N
XLogP-0.08
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

4-(4,5-Dihydro-1,3-oxazol-2-yl)morpholine
CID 21392988
[Chloro(morpholin-4-yl)methylidene]-dimethylazanium
CID 85922596
N'-(2-fluoroethyl)morpholine-4-carboximidamide
CID 130708798
Methanimine, 1-(4-morpholino)-N-propyl
CID 523955
N-methyl-1-morpholin-4-ylethanimine
CID 18335014
methyl N-cyanomorpholine-4-carboximidate
CID 20320551
N'-methylmorpholine-4-carboximidamide
CID 22977265
N-(Fluoro(morpholino)methylene)-N-methylmethanaminium hexafluorophosphate
CID 24853902
N-methyl-1-morpholin-4-ylmethanimine
CID 57536775
methyl N-methylmorpholine-4-carboximidate
CID 59833309
N'-ethylmorpholine-4-carboximidamide
CID 62361016
[Chloro(morpholin-4-yl)methylidene]-dimethylazanium chloride
CID 85922595

Frequently Asked Questions

What is the IUPAC name of [fluoro(morpholin-4-yl)methylidene]-dimethylazanium?
The IUPAC name of [fluoro(morpholin-4-yl)methylidene]-dimethylazanium (CID 24853903) is [fluoro(morpholin-4-yl)methylidene]-dimethylazanium.
What is the SMILES notation for [fluoro(morpholin-4-yl)methylidene]-dimethylazanium?
The canonical SMILES for [fluoro(morpholin-4-yl)methylidene]-dimethylazanium is C[N+](C)=C(F)N1CCOCC1.
What is the InChIKey of [fluoro(morpholin-4-yl)methylidene]-dimethylazanium?
The InChIKey is YQCSGQYPTRYDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN2O/c1-9(2)7(8)10-3-5-11-6-4-10/h3-6H2,1-2H3/q+1.
What are the key properties of [fluoro(morpholin-4-yl)methylidene]-dimethylazanium?
[fluoro(morpholin-4-yl)methylidene]-dimethylazanium has a molecular weight of 161.20 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro(morpholin-4-yl)methylidene]-dimethylazanium is sourced from PubChem (CID 24853903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).