[5-methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine

C8H17F3N2O3S — CID 103217325

IUPAC[5-methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine
SMILESCS(=O)(=O)CCCC(COCC(F)(F)F)NN
InChIInChI=1S/C8H17F3N2O3S/c1-17(14,15)4-2-3-7(13-12)5-16-6-8(9,10)11/h7,13H,2-6,12H2,1H3
InChIKeyAUOHYYWYLLMTKB-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.22
Rot. Bonds8

About [5-methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine

[5-methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine (PubChem CID 103217325) has the molecular formula C8H17F3N2O3S and a molecular weight of 278.30 g/mol. Its IUPAC name is [5-methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[5-methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine
PubChem CID103217325
Molecular FormulaC8H17F3N2O3S
Molecular Weight278.30 g/mol
Exact Mass278.09
IUPAC Name[5-methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine
SMILESCS(=O)(=O)CCCC(COCC(F)(F)F)NN
InChIInChI=1S/C8H17F3N2O3S/c1-17(14,15)4-2-3-7(13-12)5-16-6-8(9,10)11/h7,13H,2-6,12H2,1H3
InChIKeyAUOHYYWYLLMTKB-UHFFFAOYSA-N
XLogP0.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [5-methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine?
The IUPAC name of [5-methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine (CID 103217325) is [5-methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine.
What is the SMILES notation for [5-methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine?
The canonical SMILES for [5-methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine is CS(=O)(=O)CCCC(COCC(F)(F)F)NN.
What is the InChIKey of [5-methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine?
The InChIKey is AUOHYYWYLLMTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O3S/c1-17(14,15)4-2-3-7(13-12)5-16-6-8(9,10)11/h7,13H,2-6,12H2,1H3.
What are the key properties of [5-methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine?
[5-methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine has a molecular weight of 278.30 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine is sourced from PubChem (CID 103217325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).