[1-(4-fluorophenyl)ethylideneamino]-trimethylazanium

C11H16FN2+ — CID 3943522

IUPAC[1-(4-fluorophenyl)ethylideneamino]-trimethylazanium
SMILESCC(=N[N+](C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C11H16FN2/c1-9(13-14(2,3)4)10-5-7-11(12)8-6-10/h5-8H,1-4H3/q+1
InChIKeySLXSRUQQFHLHQA-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.26
Rot. Bonds2

About [1-(4-fluorophenyl)ethylideneamino]-trimethylazanium

[1-(4-fluorophenyl)ethylideneamino]-trimethylazanium (PubChem CID 3943522) has the molecular formula C11H16FN2+ and a molecular weight of 195.26 g/mol. Its IUPAC name is [1-(4-fluorophenyl)ethylideneamino]-trimethylazanium.

Molecular Properties

Compound Name[1-(4-fluorophenyl)ethylideneamino]-trimethylazanium
PubChem CID3943522
Molecular FormulaC11H16FN2+
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name[1-(4-fluorophenyl)ethylideneamino]-trimethylazanium
SMILESCC(=N[N+](C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C11H16FN2/c1-9(13-14(2,3)4)10-5-7-11(12)8-6-10/h5-8H,1-4H3/q+1
InChIKeySLXSRUQQFHLHQA-UHFFFAOYSA-N
XLogP2.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)ethylideneamino]oxymethoxy]ethanimine
CID 2827934
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene
CID 86644757
[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea
CID 5397680
(E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine
CID 71528482
N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine
CID 139246224
N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide
CID 4172268
N-[(E)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine
CID 122389221
1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene
CID 139674428
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
N-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanimine
CID 139246217
(Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine
CID 102088102

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)ethylideneamino]-trimethylazanium?
The IUPAC name of [1-(4-fluorophenyl)ethylideneamino]-trimethylazanium (CID 3943522) is [1-(4-fluorophenyl)ethylideneamino]-trimethylazanium.
What is the SMILES notation for [1-(4-fluorophenyl)ethylideneamino]-trimethylazanium?
The canonical SMILES for [1-(4-fluorophenyl)ethylideneamino]-trimethylazanium is CC(=N[N+](C)(C)C)c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)ethylideneamino]-trimethylazanium?
The InChIKey is SLXSRUQQFHLHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN2/c1-9(13-14(2,3)4)10-5-7-11(12)8-6-10/h5-8H,1-4H3/q+1.
What are the key properties of [1-(4-fluorophenyl)ethylideneamino]-trimethylazanium?
[1-(4-fluorophenyl)ethylideneamino]-trimethylazanium has a molecular weight of 195.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)ethylideneamino]-trimethylazanium is sourced from PubChem (CID 3943522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).