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

C9H20F2N2O3S — CID 103151761

IUPAC[1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-yl]hydrazine
SMILESCS(=O)(=O)CCCC(CCOCC(F)F)NN
InChIInChI=1S/C9H20F2N2O3S/c1-17(14,15)6-2-3-8(13-12)4-5-16-7-9(10)11/h8-9,13H,2-7,12H2,1H3
InChIKeyUGOLMVJHDDZMIC-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.31
Rot. Bonds10

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

[1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-yl]hydrazine (PubChem CID 103151761) has the molecular formula C9H20F2N2O3S and a molecular weight of 274.33 g/mol. Its IUPAC name is [1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-yl]hydrazine
PubChem CID103151761
Molecular FormulaC9H20F2N2O3S
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name[1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-yl]hydrazine
SMILESCS(=O)(=O)CCCC(CCOCC(F)F)NN
InChIInChI=1S/C9H20F2N2O3S/c1-17(14,15)6-2-3-8(13-12)4-5-16-7-9(10)11/h8-9,13H,2-7,12H2,1H3
InChIKeyUGOLMVJHDDZMIC-UHFFFAOYSA-N
XLogP0.31
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.31
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-methylsulfonylhexan-3-yl]hydrazine?
The IUPAC name of [1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-yl]hydrazine (CID 103151761) is [1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-yl]hydrazine.
What is the SMILES notation for [1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-yl]hydrazine?
The canonical SMILES for [1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-yl]hydrazine is CS(=O)(=O)CCCC(CCOCC(F)F)NN.
What is the InChIKey of [1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-yl]hydrazine?
The InChIKey is UGOLMVJHDDZMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2O3S/c1-17(14,15)6-2-3-8(13-12)4-5-16-7-9(10)11/h8-9,13H,2-7,12H2,1H3.
What are the key properties of [1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-yl]hydrazine?
[1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-yl]hydrazine has a molecular weight of 274.33 g/mol, XLogP of 0.31, 10 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-methylsulfonylhexan-3-yl]hydrazine is sourced from PubChem (CID 103151761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).