[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium

C12H17FN3O+ — CID 117060553

IUPAC[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
SMILESC[N+](C)(C)CC(=O)N/N=C/c1ccccc1F
InChIInChI=1S/C12H16FN3O/c1-16(2,3)9-12(17)15-14-8-10-6-4-5-7-11(10)13/h4-8H,9H2,1-3H3/p+1/b14-8+
InChIKeyBFUZTJRPSWVGJP-RIYZIHGNSA-O
MW238.29 g/mol
LogP0.98
Rot. Bonds4

About [2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium

[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium (PubChem CID 117060553) has the molecular formula C12H17FN3O+ and a molecular weight of 238.29 g/mol. Its IUPAC name is [2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
PubChem CID117060553
Molecular FormulaC12H17FN3O+
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
SMILESC[N+](C)(C)CC(=O)N/N=C/c1ccccc1F
InChIInChI=1S/C12H16FN3O/c1-16(2,3)9-12(17)15-14-8-10-6-4-5-7-11(10)13/h4-8H,9H2,1-3H3/p+1/b14-8+
InChIKeyBFUZTJRPSWVGJP-RIYZIHGNSA-O
XLogP0.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
CID 4059659
[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 54609722
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 5340045
2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 3955883
[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474234
N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 4619789
[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 136700894
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5404184
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 136700893
2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
CID 19189587
2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 5367960

Frequently Asked Questions

What is the IUPAC name of [2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium (CID 117060553) is [2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium is C[N+](C)(C)CC(=O)N/N=C/c1ccccc1F.
What is the InChIKey of [2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium?
The InChIKey is BFUZTJRPSWVGJP-RIYZIHGNSA-O. The full InChI is InChI=1S/C12H16FN3O/c1-16(2,3)9-12(17)15-14-8-10-6-4-5-7-11(10)13/h4-8H,9H2,1-3H3/p+1/b14-8+.
What are the key properties of [2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium?
[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium has a molecular weight of 238.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 117060553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).