[5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine

C10H20F4N2O3S — CID 103477812

IUPAC[5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(COCC(F)(F)C(F)F)NN
InChIInChI=1S/C10H20F4N2O3S/c1-2-20(17,18)5-3-4-8(16-15)6-19-7-10(13,14)9(11)12/h8-9,16H,2-7,15H2,1H3
InChIKeyNPLJWZCBXXKHOD-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.95
Rot. Bonds11

About [5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine

[5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine (PubChem CID 103477812) has the molecular formula C10H20F4N2O3S and a molecular weight of 324.34 g/mol. Its IUPAC name is [5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine
PubChem CID103477812
Molecular FormulaC10H20F4N2O3S
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name[5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(COCC(F)(F)C(F)F)NN
InChIInChI=1S/C10H20F4N2O3S/c1-2-20(17,18)5-3-4-8(16-15)6-19-7-10(13,14)9(11)12/h8-9,16H,2-7,15H2,1H3
InChIKeyNPLJWZCBXXKHOD-UHFFFAOYSA-N
XLogP0.95
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.95
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine?
The IUPAC name of [5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine (CID 103477812) is [5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine.
What is the SMILES notation for [5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine?
The canonical SMILES for [5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine is CCS(=O)(=O)CCCC(COCC(F)(F)C(F)F)NN.
What is the InChIKey of [5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine?
The InChIKey is NPLJWZCBXXKHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F4N2O3S/c1-2-20(17,18)5-3-4-8(16-15)6-19-7-10(13,14)9(11)12/h8-9,16H,2-7,15H2,1H3.
What are the key properties of [5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine?
[5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine has a molecular weight of 324.34 g/mol, XLogP of 0.95, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-yl]hydrazine is sourced from PubChem (CID 103477812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).