(3-ethoxy-8,8,8-trifluoro-2,2-dimethyloctan-4-yl)hydrazine

C12H25F3N2O — CID 105273730

IUPAC(3-ethoxy-8,8,8-trifluoro-2,2-dimethyloctan-4-yl)hydrazine
SMILESCCOC(C(CCCC(F)(F)F)NN)C(C)(C)C
InChIInChI=1S/C12H25F3N2O/c1-5-18-10(11(2,3)4)9(17-16)7-6-8-12(13,14)15/h9-10,17H,5-8,16H2,1-4H3
InChIKeyYRLAVWQLQMZYRQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.00
Rot. Bonds7

About (3-ethoxy-8,8,8-trifluoro-2,2-dimethyloctan-4-yl)hydrazine

(3-ethoxy-8,8,8-trifluoro-2,2-dimethyloctan-4-yl)hydrazine (PubChem CID 105273730) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is (3-ethoxy-8,8,8-trifluoro-2,2-dimethyloctan-4-yl)hydrazine.

Molecular Properties

Compound Name(3-ethoxy-8,8,8-trifluoro-2,2-dimethyloctan-4-yl)hydrazine
PubChem CID105273730
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name(3-ethoxy-8,8,8-trifluoro-2,2-dimethyloctan-4-yl)hydrazine
SMILESCCOC(C(CCCC(F)(F)F)NN)C(C)(C)C
InChIInChI=1S/C12H25F3N2O/c1-5-18-10(11(2,3)4)9(17-16)7-6-8-12(13,14)15/h9-10,17H,5-8,16H2,1-4H3
InChIKeyYRLAVWQLQMZYRQ-UHFFFAOYSA-N
XLogP3.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 (3-ethoxy-8,8,8-trifluoro-2,2-dimethyloctan-4-yl)hydrazine?
The IUPAC name of (3-ethoxy-8,8,8-trifluoro-2,2-dimethyloctan-4-yl)hydrazine (CID 105273730) is (3-ethoxy-8,8,8-trifluoro-2,2-dimethyloctan-4-yl)hydrazine.
What is the SMILES notation for (3-ethoxy-8,8,8-trifluoro-2,2-dimethyloctan-4-yl)hydrazine?
The canonical SMILES for (3-ethoxy-8,8,8-trifluoro-2,2-dimethyloctan-4-yl)hydrazine is CCOC(C(CCCC(F)(F)F)NN)C(C)(C)C.
What is the InChIKey of (3-ethoxy-8,8,8-trifluoro-2,2-dimethyloctan-4-yl)hydrazine?
The InChIKey is YRLAVWQLQMZYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-5-18-10(11(2,3)4)9(17-16)7-6-8-12(13,14)15/h9-10,17H,5-8,16H2,1-4H3.
What are the key properties of (3-ethoxy-8,8,8-trifluoro-2,2-dimethyloctan-4-yl)hydrazine?
(3-ethoxy-8,8,8-trifluoro-2,2-dimethyloctan-4-yl)hydrazine has a molecular weight of 270.34 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-8,8,8-trifluoro-2,2-dimethyloctan-4-yl)hydrazine is sourced from PubChem (CID 105273730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).