ethyl 2-(dimethylhydrazinylidene)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate

C9H12F6N2O2 — CID 73180057

IUPACethyl 2-(dimethylhydrazinylidene)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate
SMILESCCOC(=O)C(=NN(C)C)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6N2O2/c1-4-19-7(18)5(16-17(2)3)6(8(10,11)12)9(13,14)15/h6H,4H2,1-3H3
InChIKeyVWDWGISYDUNNHL-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.21
Rot. Bonds4

About ethyl 2-(dimethylhydrazinylidene)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate

ethyl 2-(dimethylhydrazinylidene)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate (PubChem CID 73180057) has the molecular formula C9H12F6N2O2 and a molecular weight of 294.20 g/mol. Its IUPAC name is ethyl 2-(dimethylhydrazinylidene)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate.

Molecular Properties

Compound Nameethyl 2-(dimethylhydrazinylidene)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate
PubChem CID73180057
Molecular FormulaC9H12F6N2O2
Molecular Weight294.20 g/mol
Exact Mass294.08
IUPAC Nameethyl 2-(dimethylhydrazinylidene)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate
SMILESCCOC(=O)C(=NN(C)C)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6N2O2/c1-4-19-7(18)5(16-17(2)3)6(8(10,11)12)9(13,14)15/h6H,4H2,1-3H3
InChIKeyVWDWGISYDUNNHL-UHFFFAOYSA-N
XLogP2.21
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylhydrazinylidene)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate?
The IUPAC name of ethyl 2-(dimethylhydrazinylidene)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate (CID 73180057) is ethyl 2-(dimethylhydrazinylidene)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate.
What is the SMILES notation for ethyl 2-(dimethylhydrazinylidene)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate?
The canonical SMILES for ethyl 2-(dimethylhydrazinylidene)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate is CCOC(=O)C(=NN(C)C)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethyl 2-(dimethylhydrazinylidene)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate?
The InChIKey is VWDWGISYDUNNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6N2O2/c1-4-19-7(18)5(16-17(2)3)6(8(10,11)12)9(13,14)15/h6H,4H2,1-3H3.
What are the key properties of ethyl 2-(dimethylhydrazinylidene)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate?
ethyl 2-(dimethylhydrazinylidene)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate has a molecular weight of 294.20 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylhydrazinylidene)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate is sourced from PubChem (CID 73180057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).