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

C9H19F3N2O3S — CID 103217527

IUPAC[5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(COCC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2O3S/c1-2-18(15,16)5-3-4-8(14-13)6-17-7-9(10,11)12/h8,14H,2-7,13H2,1H3
InChIKeyJTTTUHYOKOZGIS-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.61
Rot. Bonds9

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

[5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine (PubChem CID 103217527) has the molecular formula C9H19F3N2O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is [5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine
PubChem CID103217527
Molecular FormulaC9H19F3N2O3S
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name[5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(COCC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2O3S/c1-2-18(15,16)5-3-4-8(14-13)6-17-7-9(10,11)12/h8,14H,2-7,13H2,1H3
InChIKeyJTTTUHYOKOZGIS-UHFFFAOYSA-N
XLogP0.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.61
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-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine?
The IUPAC name of [5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine (CID 103217527) is [5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine.
What is the SMILES notation for [5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine?
The canonical SMILES for [5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine is CCS(=O)(=O)CCCC(COCC(F)(F)F)NN.
What is the InChIKey of [5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine?
The InChIKey is JTTTUHYOKOZGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O3S/c1-2-18(15,16)5-3-4-8(14-13)6-17-7-9(10,11)12/h8,14H,2-7,13H2,1H3.
What are the key properties of [5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine?
[5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine has a molecular weight of 292.32 g/mol, XLogP of 0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine is sourced from PubChem (CID 103217527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).