2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate

C15H12FN2O3- — CID 9076234

IUPAC2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccc(/C=N\Nc2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN2O3/c16-12-3-5-13(6-4-12)18-17-9-11-1-7-14(8-2-11)21-10-15(19)20/h1-9,18H,10H2,(H,19,20)/p-1/b17-9-
InChIKeyIKFZHDJIZLUYPD-MFOYZWKCSA-M
MW287.27 g/mol
LogP1.40
Rot. Bonds6

About 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate

2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 9076234) has the molecular formula C15H12FN2O3- and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate
PubChem CID9076234
Molecular FormulaC15H12FN2O3-
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccc(/C=N\Nc2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN2O3/c16-12-3-5-13(6-4-12)18-17-9-11-1-7-14(8-2-11)21-10-15(19)20/h1-9,18H,10H2,(H,19,20)/p-1/b17-9-
InChIKeyIKFZHDJIZLUYPD-MFOYZWKCSA-M
XLogP1.40
TPSA73.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 9211930
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840847
2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989742
2-[4-[(Z)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 9466108
2-[4-[(E)-[(4-methylphenyl)carbamoylhydrazinylidene]methyl]phenoxy]acetate
CID 6876114
[4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
CID 3560230
2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 9466391
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide
CID 96885337
4-[(2E)-2-[[4-(4-fluorobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110341095
2-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenoxy]acetate
CID 7457404

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate (CID 9076234) is 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate is O=C([O-])COc1ccc(/C=N\Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is IKFZHDJIZLUYPD-MFOYZWKCSA-M. The full InChI is InChI=1S/C15H13FN2O3/c16-12-3-5-13(6-4-12)18-17-9-11-1-7-14(8-2-11)21-10-15(19)20/h1-9,18H,10H2,(H,19,20)/p-1/b17-9-.
What are the key properties of 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate?
2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 287.27 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 9076234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).