4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate

C16H13F2N2O3- — CID 8007668

IUPAC4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate
SMILESC/C(=N/Nc1ccc(C(=O)[O-])cc1)c1ccccc1OC(F)F
InChIInChI=1S/C16H14F2N2O3/c1-10(13-4-2-3-5-14(13)23-16(17)18)19-20-12-8-6-11(7-9-12)15(21)22/h2-9,16,20H,1H3,(H,21,22)/p-1/b19-10-
InChIKeyRZANSHZRRHMYNH-GRSHGNNSSA-M
MW319.29 g/mol
LogP2.49
Rot. Bonds6

About 4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate

4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate (PubChem CID 8007668) has the molecular formula C16H13F2N2O3- and a molecular weight of 319.29 g/mol. Its IUPAC name is 4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate
PubChem CID8007668
Molecular FormulaC16H13F2N2O3-
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate
SMILESC/C(=N/Nc1ccc(C(=O)[O-])cc1)c1ccccc1OC(F)F
InChIInChI=1S/C16H14F2N2O3/c1-10(13-4-2-3-5-14(13)23-16(17)18)19-20-12-8-6-11(7-9-12)15(21)22/h2-9,16,20H,1H3,(H,21,22)/p-1/b19-10-
InChIKeyRZANSHZRRHMYNH-GRSHGNNSSA-M
XLogP2.49
TPSA73.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 52.49
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

4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 9012884
4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate
CID 9012825
[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea
CID 9017353
N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide
CID 3390969
[1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea
CID 76872298
N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide
CID 7429040
N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 3887231
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate
CID 7744968
2-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 26904916
N-[(E)-1-(2-methoxyphenyl)ethylideneamino]aniline
CID 15349196
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline
CID 9076263
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate (CID 8007668) is 4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate is C/C(=N/Nc1ccc(C(=O)[O-])cc1)c1ccccc1OC(F)F.
What is the InChIKey of 4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate?
The InChIKey is RZANSHZRRHMYNH-GRSHGNNSSA-M. The full InChI is InChI=1S/C16H14F2N2O3/c1-10(13-4-2-3-5-14(13)23-16(17)18)19-20-12-8-6-11(7-9-12)15(21)22/h2-9,16,20H,1H3,(H,21,22)/p-1/b19-10-.
What are the key properties of 4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate?
4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate has a molecular weight of 319.29 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate is sourced from PubChem (CID 8007668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).