dimethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanedioate

C11H10F2N2O4 — CID 23118461

IUPACdimethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanedioate
SMILESCOC(=O)C(=NNc1ccc(F)c(F)c1)C(=O)OC
InChIInChI=1S/C11H10F2N2O4/c1-18-10(16)9(11(17)19-2)15-14-6-3-4-7(12)8(13)5-6/h3-5,14H,1-2H3
InChIKeyGBWUGNYHVFGMFC-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.08
Rot. Bonds4

About dimethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanedioate

dimethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanedioate (PubChem CID 23118461) has the molecular formula C11H10F2N2O4 and a molecular weight of 272.21 g/mol. Its IUPAC name is dimethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanedioate
PubChem CID23118461
Molecular FormulaC11H10F2N2O4
Molecular Weight272.21 g/mol
Exact Mass272.06
IUPAC Namedimethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanedioate
SMILESCOC(=O)C(=NNc1ccc(F)c(F)c1)C(=O)OC
InChIInChI=1S/C11H10F2N2O4/c1-18-10(16)9(11(17)19-2)15-14-6-3-4-7(12)8(13)5-6/h3-5,14H,1-2H3
InChIKeyGBWUGNYHVFGMFC-UHFFFAOYSA-N
XLogP1.08
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dimethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanedioate 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

N-(3,4-difluorophenyl)-2-methoxy-2-phenylacetamide
CID 2956436
N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970184
methyl 3-(3,4-difluoroanilino)propanoate
CID 43365403
(1E)-2-cyclopropyl-N-(3,4-difluoroanilino)-2-oxoethanimidoyl cyanide
CID 53257745
methyl 4-(3,4-difluoroanilino)butanoate
CID 43377896
N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
methyl 2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 112616812
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
N-(3,4-difluorophenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967993
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
CID 143868293
CID 143868293

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanedioate?
The IUPAC name of dimethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanedioate (CID 23118461) is dimethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanedioate.
What is the SMILES notation for dimethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanedioate?
The canonical SMILES for dimethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanedioate is COC(=O)C(=NNc1ccc(F)c(F)c1)C(=O)OC.
What is the InChIKey of dimethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanedioate?
The InChIKey is GBWUGNYHVFGMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O4/c1-18-10(16)9(11(17)19-2)15-14-6-3-4-7(12)8(13)5-6/h3-5,14H,1-2H3.
What are the key properties of dimethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanedioate?
dimethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanedioate has a molecular weight of 272.21 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(3,4-difluorophenyl)hydrazinylidene]propanedioate is sourced from PubChem (CID 23118461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).