methyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate

C15H10F4N2O2 — CID 3659610

IUPACmethyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C15H10F4N2O2/c1-23-15(22)9-4-2-8(3-5-9)7-20-21-14-12(18)10(16)6-11(17)13(14)19/h2-7,21H,1H3
InChIKeyLERUPMHZHUMLAM-UHFFFAOYSA-N
MW326.25 g/mol
LogP3.48
Rot. Bonds4

About methyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate

methyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate (PubChem CID 3659610) has the molecular formula C15H10F4N2O2 and a molecular weight of 326.25 g/mol. Its IUPAC name is methyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate
PubChem CID3659610
Molecular FormulaC15H10F4N2O2
Molecular Weight326.25 g/mol
Exact Mass326.07
IUPAC Namemethyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C15H10F4N2O2/c1-23-15(22)9-4-2-8(3-5-9)7-20-21-14-12(18)10(16)6-11(17)13(14)19/h2-7,21H,1H3
InChIKeyLERUPMHZHUMLAM-UHFFFAOYSA-N
XLogP3.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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

methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate
CID 8001515
2,3,5,6-tetrafluoro-N-[(4-nitrophenyl)methylideneamino]aniline
CID 3888449
methyl 4-[[[4-[[(4-methoxycarbonylphenyl)methylideneamino]carbamoyl]phenyl]hydrazinylidene]methyl]benzoate
CID 4090499
methyl 4-[(E)-[(4-cyanophenyl)hydrazinylidene]methyl]benzoate
CID 46915929
methyl 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 74861828
methyl 4-[[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate
CID 4002344
2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol
CID 135613721
methyl 4-[(E)-[(3-chloroquinoxalin-2-yl)hydrazinylidene]methyl]benzoate
CID 56725889
methyl 4-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 5341566
[4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
CID 110509030
methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 3281330
methyl 4-[(Z)-[[4-(4-fluoroanilino)-4-oxobutanoyl]hydrazinylidene]methyl]benzoate
CID 6300359

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate (CID 3659610) is methyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate is COC(=O)c1ccc(C=NNc2c(F)c(F)cc(F)c2F)cc1.
What is the InChIKey of methyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate?
The InChIKey is LERUPMHZHUMLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O2/c1-23-15(22)9-4-2-8(3-5-9)7-20-21-14-12(18)10(16)6-11(17)13(14)19/h2-7,21H,1H3.
What are the key properties of methyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate?
methyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate has a molecular weight of 326.25 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 3659610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).