2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid

C15H9F5N2O3 — CID 9466391

IUPAC2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C15H9F5N2O3/c16-10-11(17)13(19)15(14(20)12(10)18)22-21-5-7-1-3-8(4-2-7)25-6-9(23)24/h1-5,22H,6H2,(H,23,24)/b21-5-
InChIKeyZYYJFXNRSINIPK-SQFVCTCFSA-N
MW360.24 g/mol
LogP3.29
Rot. Bonds6

About 2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid

2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 9466391) has the molecular formula C15H9F5N2O3 and a molecular weight of 360.24 g/mol. Its IUPAC name is 2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID9466391
Molecular FormulaC15H9F5N2O3
Molecular Weight360.24 g/mol
Exact Mass360.05
IUPAC Name2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C15H9F5N2O3/c16-10-11(17)13(19)15(14(20)12(10)18)22-21-5-7-1-3-8(4-2-7)25-6-9(23)24/h1-5,22H,6H2,(H,23,24)/b21-5-
InChIKeyZYYJFXNRSINIPK-SQFVCTCFSA-N
XLogP3.29
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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]acetate
CID 9076234
2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 956205
2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3290188
2,3,5,6-tetrafluoro-N-[(4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 5004757
2-[4-[(E)-[[4-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 45109462
2-[4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 21370898
2-[4-[[(3-bromobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 5154612
2-[4-[[[2-(benzylideneamino)oxyacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 5047309
2-[4-[[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4035546
2-[4-[(Z)-[[2-(4-methoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 7933088
2-[4-[(Z)-[(4-propan-2-ylphenyl)carbamothioylhydrazinylidene]methyl]phenoxy]acetic acid
CID 9256110
2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 6261259

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid (CID 9466391) is 2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccc(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is ZYYJFXNRSINIPK-SQFVCTCFSA-N. The full InChI is InChI=1S/C15H9F5N2O3/c16-10-11(17)13(19)15(14(20)12(10)18)22-21-5-7-1-3-8(4-2-7)25-6-9(23)24/h1-5,22H,6H2,(H,23,24)/b21-5-.
What are the key properties of 2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid?
2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 360.24 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 9466391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).