ethyl (3Z)-3-(dimethylhydrazinylidene)-4,4,4-trifluorobutanoate

C8H13F3N2O2 — CID 23266296

IUPACethyl (3Z)-3-(dimethylhydrazinylidene)-4,4,4-trifluorobutanoate
SMILESCCOC(=O)C/C(=N/N(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-4-15-7(14)5-6(8(9,10)11)12-13(2)3/h4-5H2,1-3H3/b12-6-
InChIKeySZKXYATUDUASBJ-SDQBBNPISA-N
MW226.20 g/mol
LogP1.42
Rot. Bonds4

About ethyl (3Z)-3-(dimethylhydrazinylidene)-4,4,4-trifluorobutanoate

ethyl (3Z)-3-(dimethylhydrazinylidene)-4,4,4-trifluorobutanoate (PubChem CID 23266296) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is ethyl (3Z)-3-(dimethylhydrazinylidene)-4,4,4-trifluorobutanoate.

Molecular Properties

Compound Nameethyl (3Z)-3-(dimethylhydrazinylidene)-4,4,4-trifluorobutanoate
PubChem CID23266296
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Nameethyl (3Z)-3-(dimethylhydrazinylidene)-4,4,4-trifluorobutanoate
SMILESCCOC(=O)C/C(=N/N(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-4-15-7(14)5-6(8(9,10)11)12-13(2)3/h4-5H2,1-3H3/b12-6-
InChIKeySZKXYATUDUASBJ-SDQBBNPISA-N
XLogP1.42
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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ethyl (3E)-4,4,4-trifluoro-3-(propan-2-ylidenehydrazinylidene)butanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl (3Z)-3-(dimethylhydrazinylidene)-4,4,4-trifluorobutanoate?
The IUPAC name of ethyl (3Z)-3-(dimethylhydrazinylidene)-4,4,4-trifluorobutanoate (CID 23266296) is ethyl (3Z)-3-(dimethylhydrazinylidene)-4,4,4-trifluorobutanoate.
What is the SMILES notation for ethyl (3Z)-3-(dimethylhydrazinylidene)-4,4,4-trifluorobutanoate?
The canonical SMILES for ethyl (3Z)-3-(dimethylhydrazinylidene)-4,4,4-trifluorobutanoate is CCOC(=O)C/C(=N/N(C)C)C(F)(F)F.
What is the InChIKey of ethyl (3Z)-3-(dimethylhydrazinylidene)-4,4,4-trifluorobutanoate?
The InChIKey is SZKXYATUDUASBJ-SDQBBNPISA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-4-15-7(14)5-6(8(9,10)11)12-13(2)3/h4-5H2,1-3H3/b12-6-.
What are the key properties of ethyl (3Z)-3-(dimethylhydrazinylidene)-4,4,4-trifluorobutanoate?
ethyl (3Z)-3-(dimethylhydrazinylidene)-4,4,4-trifluorobutanoate has a molecular weight of 226.20 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3Z)-3-(dimethylhydrazinylidene)-4,4,4-trifluorobutanoate is sourced from PubChem (CID 23266296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).