ethyl (2E,4E)-5,5-difluoro-4-hydrazinylidene-2,6-dimethylhepta-2,6-dienoate

C11H16F2N2O2 — CID 155281097

IUPACethyl (2E,4E)-5,5-difluoro-4-hydrazinylidene-2,6-dimethylhepta-2,6-dienoate
SMILESC=C(C)C(F)(F)C(/C=C(\C)C(=O)OCC)=N/N
InChIInChI=1S/C11H16F2N2O2/c1-5-17-10(16)8(4)6-9(15-14)11(12,13)7(2)3/h6H,2,5,14H2,1,3-4H3/b8-6+,15-9+
InChIKeyGMQHKJUNWJVHDV-SKAFZBRJSA-N
MW246.26 g/mol
LogP2.02
Rot. Bonds5

About ethyl (2E,4E)-5,5-difluoro-4-hydrazinylidene-2,6-dimethylhepta-2,6-dienoate

ethyl (2E,4E)-5,5-difluoro-4-hydrazinylidene-2,6-dimethylhepta-2,6-dienoate (PubChem CID 155281097) has the molecular formula C11H16F2N2O2 and a molecular weight of 246.26 g/mol. Its IUPAC name is ethyl (2E,4E)-5,5-difluoro-4-hydrazinylidene-2,6-dimethylhepta-2,6-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-5,5-difluoro-4-hydrazinylidene-2,6-dimethylhepta-2,6-dienoate
PubChem CID155281097
Molecular FormulaC11H16F2N2O2
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Nameethyl (2E,4E)-5,5-difluoro-4-hydrazinylidene-2,6-dimethylhepta-2,6-dienoate
SMILESC=C(C)C(F)(F)C(/C=C(\C)C(=O)OCC)=N/N
InChIInChI=1S/C11H16F2N2O2/c1-5-17-10(16)8(4)6-9(15-14)11(12,13)7(2)3/h6H,2,5,14H2,1,3-4H3/b8-6+,15-9+
InChIKeyGMQHKJUNWJVHDV-SKAFZBRJSA-N
XLogP2.02
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 (2E,4E)-5,5-difluoro-4-hydrazinylidene-2,6-dimethylhepta-2,6-dienoate?
The IUPAC name of ethyl (2E,4E)-5,5-difluoro-4-hydrazinylidene-2,6-dimethylhepta-2,6-dienoate (CID 155281097) is ethyl (2E,4E)-5,5-difluoro-4-hydrazinylidene-2,6-dimethylhepta-2,6-dienoate.
What is the SMILES notation for ethyl (2E,4E)-5,5-difluoro-4-hydrazinylidene-2,6-dimethylhepta-2,6-dienoate?
The canonical SMILES for ethyl (2E,4E)-5,5-difluoro-4-hydrazinylidene-2,6-dimethylhepta-2,6-dienoate is C=C(C)C(F)(F)C(/C=C(\C)C(=O)OCC)=N/N.
What is the InChIKey of ethyl (2E,4E)-5,5-difluoro-4-hydrazinylidene-2,6-dimethylhepta-2,6-dienoate?
The InChIKey is GMQHKJUNWJVHDV-SKAFZBRJSA-N. The full InChI is InChI=1S/C11H16F2N2O2/c1-5-17-10(16)8(4)6-9(15-14)11(12,13)7(2)3/h6H,2,5,14H2,1,3-4H3/b8-6+,15-9+.
What are the key properties of ethyl (2E,4E)-5,5-difluoro-4-hydrazinylidene-2,6-dimethylhepta-2,6-dienoate?
ethyl (2E,4E)-5,5-difluoro-4-hydrazinylidene-2,6-dimethylhepta-2,6-dienoate has a molecular weight of 246.26 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-5,5-difluoro-4-hydrazinylidene-2,6-dimethylhepta-2,6-dienoate is sourced from PubChem (CID 155281097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).