ethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate

C10H12F2N2O3 — CID 134642092

IUPACethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate
SMILESCCOC(=O)c1ccc(NN)cc1OC(F)F
InChIInChI=1S/C10H12F2N2O3/c1-2-16-9(15)7-4-3-6(14-13)5-8(7)17-10(11)12/h3-5,10,14H,2,13H2,1H3
InChIKeyGUFXAKWIBOBIOD-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.75
Rot. Bonds5

About ethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate

ethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate (PubChem CID 134642092) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is ethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate.

Molecular Properties

Compound Nameethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate
PubChem CID134642092
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Nameethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate
SMILESCCOC(=O)c1ccc(NN)cc1OC(F)F
InChIInChI=1S/C10H12F2N2O3/c1-2-16-9(15)7-4-3-6(14-13)5-8(7)17-10(11)12/h3-5,10,14H,2,13H2,1H3
InChIKeyGUFXAKWIBOBIOD-UHFFFAOYSA-N
XLogP1.75
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-hydrazinyl-2-sulfamoylbenzoate
CID 14837219
ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate
CID 121228210
ethyl 5-amino-4-bromo-2-(difluoromethoxy)benzoate
CID 171019526
ethyl 5-hydrazinyl-2-(trifluoromethoxy)benzoate
CID 134640978
ethyl 5-hydrazinyl-2-iodobenzoate
CID 130775053
ethyl 2-amino-4-(difluoromethoxy)-3-hydroxybenzoate
CID 129074023
ethyl 2-amino-5-(difluoromethoxy)-4-methylbenzoate
CID 171011069
ethyl 4-chloro-2-(difluoromethoxy)-5-fluorobenzoate
CID 171005077
ethyl 2,5-dichloro-4-(difluoromethoxy)benzoate
CID 121228202
ethyl 4-(chloromethyl)-2-(difluoromethoxy)-5-methylbenzoate
CID 171020023
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609685
ethyl 3-(difluoromethoxy)-4-methylbenzoate
CID 153338656

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate?
The IUPAC name of ethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate (CID 134642092) is ethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate.
What is the SMILES notation for ethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate?
The canonical SMILES for ethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate is CCOC(=O)c1ccc(NN)cc1OC(F)F.
What is the InChIKey of ethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate?
The InChIKey is GUFXAKWIBOBIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-2-16-9(15)7-4-3-6(14-13)5-8(7)17-10(11)12/h3-5,10,14H,2,13H2,1H3.
What are the key properties of ethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate?
ethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate has a molecular weight of 246.21 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate is sourced from PubChem (CID 134642092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).