(5-ethylsulfonyl-1,1,1-trifluoropentan-2-yl)hydrazine

C7H15F3N2O2S — CID 105215609

IUPAC(5-ethylsulfonyl-1,1,1-trifluoropentan-2-yl)hydrazine
SMILESCCS(=O)(=O)CCCC(NN)C(F)(F)F
InChIInChI=1S/C7H15F3N2O2S/c1-2-15(13,14)5-3-4-6(12-11)7(8,9)10/h6,12H,2-5,11H2,1H3
InChIKeyNGVNSSGMTKOCDB-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.60
Rot. Bonds6

About (5-ethylsulfonyl-1,1,1-trifluoropentan-2-yl)hydrazine

(5-ethylsulfonyl-1,1,1-trifluoropentan-2-yl)hydrazine (PubChem CID 105215609) has the molecular formula C7H15F3N2O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is (5-ethylsulfonyl-1,1,1-trifluoropentan-2-yl)hydrazine.

Molecular Properties

Compound Name(5-ethylsulfonyl-1,1,1-trifluoropentan-2-yl)hydrazine
PubChem CID105215609
Molecular FormulaC7H15F3N2O2S
Molecular Weight248.27 g/mol
Exact Mass248.08
IUPAC Name(5-ethylsulfonyl-1,1,1-trifluoropentan-2-yl)hydrazine
SMILESCCS(=O)(=O)CCCC(NN)C(F)(F)F
InChIInChI=1S/C7H15F3N2O2S/c1-2-15(13,14)5-3-4-6(12-11)7(8,9)10/h6,12H,2-5,11H2,1H3
InChIKeyNGVNSSGMTKOCDB-UHFFFAOYSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5-ethylsulfonyl-1,1,1-trifluoropentan-2-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-ethylsulfonyl-1,1,1-trifluoropentan-2-yl)hydrazine?
The IUPAC name of (5-ethylsulfonyl-1,1,1-trifluoropentan-2-yl)hydrazine (CID 105215609) is (5-ethylsulfonyl-1,1,1-trifluoropentan-2-yl)hydrazine.
What is the SMILES notation for (5-ethylsulfonyl-1,1,1-trifluoropentan-2-yl)hydrazine?
The canonical SMILES for (5-ethylsulfonyl-1,1,1-trifluoropentan-2-yl)hydrazine is CCS(=O)(=O)CCCC(NN)C(F)(F)F.
What is the InChIKey of (5-ethylsulfonyl-1,1,1-trifluoropentan-2-yl)hydrazine?
The InChIKey is NGVNSSGMTKOCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O2S/c1-2-15(13,14)5-3-4-6(12-11)7(8,9)10/h6,12H,2-5,11H2,1H3.
What are the key properties of (5-ethylsulfonyl-1,1,1-trifluoropentan-2-yl)hydrazine?
(5-ethylsulfonyl-1,1,1-trifluoropentan-2-yl)hydrazine has a molecular weight of 248.27 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylsulfonyl-1,1,1-trifluoropentan-2-yl)hydrazine is sourced from PubChem (CID 105215609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).