[(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide

C11H16FIN4 — CID 165154075

IUPAC[(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide
SMILESC[N+](C)(C)/N=C/C=N/Nc1cccc(F)c1.[I-]
InChIInChI=1S/C11H16FN4.HI/c1-16(2,3)14-8-7-13-15-11-6-4-5-10(12)9-11;/h4-9,15H,1-3H3;1H/q+1;/p-1/b13-7+,14-8+;
InChIKeyJDLRQNYMLXTVGU-IOJPAMHKSA-M
MW350.18 g/mol
LogP-1.08
Rot. Bonds4

About [(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide

[(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide (PubChem CID 165154075) has the molecular formula C11H16FIN4 and a molecular weight of 350.18 g/mol. Its IUPAC name is [(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide.

Molecular Properties

Compound Name[(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide
PubChem CID165154075
Molecular FormulaC11H16FIN4
Molecular Weight350.18 g/mol
Exact Mass350.04
IUPAC Name[(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide
SMILESC[N+](C)(C)/N=C/C=N/Nc1cccc(F)c1.[I-]
InChIInChI=1S/C11H16FN4.HI/c1-16(2,3)14-8-7-13-15-11-6-4-5-10(12)9-11;/h4-9,15H,1-3H3;1H/q+1;/p-1/b13-7+,14-8+;
InChIKeyJDLRQNYMLXTVGU-IOJPAMHKSA-M
XLogP-1.08
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

(2E)-2-[(3-fluorophenyl)hydrazinylidene]acetaldehyde
CID 87314811
3-fluoro-N-methylaniline
CID 2759011
3-N-(2-iminoethylideneamino)benzene-1,3-diamine
CID 149024919
3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
3-fluoro-N-methylaniline;molecular hydrogen
CID 143398655
3-fluoro-N-[(E)-[4-[4-[(3-fluorophenyl)methyliminomethyl]phenyl]phenyl]methylideneamino]aniline
CID 172989455
3,4-dichloro-N-[(3-fluorophenyl)methylideneamino]aniline
CID 3622419
3-fluoro-N-phenylaniline
CID 2774466
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
CID 117027175
3-fluoro-N-(1-thiophen-2-ylethylideneamino)aniline
CID 86752186
N-(difluoromethoxy)-3-fluoroaniline
CID 87348097
ethane;N-[(Z)-ethylideneamino]-3-methylaniline
CID 142906604

Frequently Asked Questions

What is the IUPAC name of [(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide?
The IUPAC name of [(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide (CID 165154075) is [(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide.
What is the SMILES notation for [(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide?
The canonical SMILES for [(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide is C[N+](C)(C)/N=C/C=N/Nc1cccc(F)c1.[I-].
What is the InChIKey of [(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide?
The InChIKey is JDLRQNYMLXTVGU-IOJPAMHKSA-M. The full InChI is InChI=1S/C11H16FN4.HI/c1-16(2,3)14-8-7-13-15-11-6-4-5-10(12)9-11;/h4-9,15H,1-3H3;1H/q+1;/p-1/b13-7+,14-8+;.
What are the key properties of [(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide?
[(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide has a molecular weight of 350.18 g/mol, XLogP of -1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2E)-2-[(3-fluorophenyl)hydrazinylidene]ethylidene]amino]-trimethylazanium iodide is sourced from PubChem (CID 165154075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).