[1-(2,2-difluoroethoxy)-6-ethylsulfonylhexan-3-yl]hydrazine

C10H22F2N2O3S — CID 103152082

IUPAC[1-(2,2-difluoroethoxy)-6-ethylsulfonylhexan-3-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(CCOCC(F)F)NN
InChIInChI=1S/C10H22F2N2O3S/c1-2-18(15,16)7-3-4-9(14-13)5-6-17-8-10(11)12/h9-10,14H,2-8,13H2,1H3
InChIKeyGNRLGRZVOLIPOK-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.70
Rot. Bonds11

About [1-(2,2-difluoroethoxy)-6-ethylsulfonylhexan-3-yl]hydrazine

[1-(2,2-difluoroethoxy)-6-ethylsulfonylhexan-3-yl]hydrazine (PubChem CID 103152082) has the molecular formula C10H22F2N2O3S and a molecular weight of 288.36 g/mol. Its IUPAC name is [1-(2,2-difluoroethoxy)-6-ethylsulfonylhexan-3-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,2-difluoroethoxy)-6-ethylsulfonylhexan-3-yl]hydrazine
PubChem CID103152082
Molecular FormulaC10H22F2N2O3S
Molecular Weight288.36 g/mol
Exact Mass288.13
IUPAC Name[1-(2,2-difluoroethoxy)-6-ethylsulfonylhexan-3-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(CCOCC(F)F)NN
InChIInChI=1S/C10H22F2N2O3S/c1-2-18(15,16)7-3-4-9(14-13)5-6-17-8-10(11)12/h9-10,14H,2-8,13H2,1H3
InChIKeyGNRLGRZVOLIPOK-UHFFFAOYSA-N
XLogP0.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [1-(2,2-difluoroethoxy)-6-ethylsulfonylhexan-3-yl]hydrazine?
The IUPAC name of [1-(2,2-difluoroethoxy)-6-ethylsulfonylhexan-3-yl]hydrazine (CID 103152082) is [1-(2,2-difluoroethoxy)-6-ethylsulfonylhexan-3-yl]hydrazine.
What is the SMILES notation for [1-(2,2-difluoroethoxy)-6-ethylsulfonylhexan-3-yl]hydrazine?
The canonical SMILES for [1-(2,2-difluoroethoxy)-6-ethylsulfonylhexan-3-yl]hydrazine is CCS(=O)(=O)CCCC(CCOCC(F)F)NN.
What is the InChIKey of [1-(2,2-difluoroethoxy)-6-ethylsulfonylhexan-3-yl]hydrazine?
The InChIKey is GNRLGRZVOLIPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22F2N2O3S/c1-2-18(15,16)7-3-4-9(14-13)5-6-17-8-10(11)12/h9-10,14H,2-8,13H2,1H3.
What are the key properties of [1-(2,2-difluoroethoxy)-6-ethylsulfonylhexan-3-yl]hydrazine?
[1-(2,2-difluoroethoxy)-6-ethylsulfonylhexan-3-yl]hydrazine has a molecular weight of 288.36 g/mol, XLogP of 0.70, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethoxy)-6-ethylsulfonylhexan-3-yl]hydrazine is sourced from PubChem (CID 103152082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).