ethyl (1Z)-3,4-difluoro-N-formylbenzenecarbohydrazonate

C10H10F2N2O2 — CID 155036433

IUPACethyl (1Z)-3,4-difluoro-N-formylbenzenecarbohydrazonate
SMILESCCO/C(=N\NC=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2N2O2/c1-2-16-10(14-13-6-15)7-3-4-8(11)9(12)5-7/h3-6H,2H2,1H3,(H,13,15)/b14-10-
InChIKeyYDEOKZXUYLQGOX-UVTDQMKNSA-N
MW228.20 g/mol
LogP1.41
Rot. Bonds4

About ethyl (1Z)-3,4-difluoro-N-formylbenzenecarbohydrazonate

ethyl (1Z)-3,4-difluoro-N-formylbenzenecarbohydrazonate (PubChem CID 155036433) has the molecular formula C10H10F2N2O2 and a molecular weight of 228.20 g/mol. Its IUPAC name is ethyl (1Z)-3,4-difluoro-N-formylbenzenecarbohydrazonate.

Molecular Properties

Compound Nameethyl (1Z)-3,4-difluoro-N-formylbenzenecarbohydrazonate
PubChem CID155036433
Molecular FormulaC10H10F2N2O2
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Nameethyl (1Z)-3,4-difluoro-N-formylbenzenecarbohydrazonate
SMILESCCO/C(=N\NC=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2N2O2/c1-2-16-10(14-13-6-15)7-3-4-8(11)9(12)5-7/h3-6H,2H2,1H3,(H,13,15)/b14-10-
InChIKeyYDEOKZXUYLQGOX-UVTDQMKNSA-N
XLogP1.41
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (1Z)-3,4-difluoro-N-formylbenzenecarbohydrazonate?
The IUPAC name of ethyl (1Z)-3,4-difluoro-N-formylbenzenecarbohydrazonate (CID 155036433) is ethyl (1Z)-3,4-difluoro-N-formylbenzenecarbohydrazonate.
What is the SMILES notation for ethyl (1Z)-3,4-difluoro-N-formylbenzenecarbohydrazonate?
The canonical SMILES for ethyl (1Z)-3,4-difluoro-N-formylbenzenecarbohydrazonate is CCO/C(=N\NC=O)c1ccc(F)c(F)c1.
What is the InChIKey of ethyl (1Z)-3,4-difluoro-N-formylbenzenecarbohydrazonate?
The InChIKey is YDEOKZXUYLQGOX-UVTDQMKNSA-N. The full InChI is InChI=1S/C10H10F2N2O2/c1-2-16-10(14-13-6-15)7-3-4-8(11)9(12)5-7/h3-6H,2H2,1H3,(H,13,15)/b14-10-.
What are the key properties of ethyl (1Z)-3,4-difluoro-N-formylbenzenecarbohydrazonate?
ethyl (1Z)-3,4-difluoro-N-formylbenzenecarbohydrazonate has a molecular weight of 228.20 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-3,4-difluoro-N-formylbenzenecarbohydrazonate is sourced from PubChem (CID 155036433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).