[(4,4-difluorocyclohexyl)-oxido-oxo-λ6-sulfanylidene]-ethylazanium

C8H15F2NO2S — CID 163742026

IUPAC[(4,4-difluorocyclohexyl)-oxido-oxo-λ6-sulfanylidene]-ethylazanium
SMILESCC[NH+]=S(=O)([O-])C1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2NO2S/c1-2-11-14(12,13)7-3-5-8(9,10)6-4-7/h7H,2-6H2,1H3,(H,11,12,13)
InChIKeyLIOYZSSBXURQKE-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.26
Rot. Bonds2

About [(4,4-difluorocyclohexyl)-oxido-oxo-λ6-sulfanylidene]-ethylazanium

[(4,4-difluorocyclohexyl)-oxido-oxo-λ6-sulfanylidene]-ethylazanium (PubChem CID 163742026) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is [(4,4-difluorocyclohexyl)-oxido-oxo-λ6-sulfanylidene]-ethylazanium.

Molecular Properties

Compound Name[(4,4-difluorocyclohexyl)-oxido-oxo-λ6-sulfanylidene]-ethylazanium
PubChem CID163742026
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC Name[(4,4-difluorocyclohexyl)-oxido-oxo-λ6-sulfanylidene]-ethylazanium
SMILESCC[NH+]=S(=O)([O-])C1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2NO2S/c1-2-11-14(12,13)7-3-5-8(9,10)6-4-7/h7H,2-6H2,1H3,(H,11,12,13)
InChIKeyLIOYZSSBXURQKE-UHFFFAOYSA-N
XLogP0.26
TPSA54.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(4,4-difluorocyclohexyl)-oxido-oxo-λ6-sulfanylidene]-ethylazanium?
The IUPAC name of [(4,4-difluorocyclohexyl)-oxido-oxo-λ6-sulfanylidene]-ethylazanium (CID 163742026) is [(4,4-difluorocyclohexyl)-oxido-oxo-λ6-sulfanylidene]-ethylazanium.
What is the SMILES notation for [(4,4-difluorocyclohexyl)-oxido-oxo-λ6-sulfanylidene]-ethylazanium?
The canonical SMILES for [(4,4-difluorocyclohexyl)-oxido-oxo-λ6-sulfanylidene]-ethylazanium is CC[NH+]=S(=O)([O-])C1CCC(F)(F)CC1.
What is the InChIKey of [(4,4-difluorocyclohexyl)-oxido-oxo-λ6-sulfanylidene]-ethylazanium?
The InChIKey is LIOYZSSBXURQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-2-11-14(12,13)7-3-5-8(9,10)6-4-7/h7H,2-6H2,1H3,(H,11,12,13).
What are the key properties of [(4,4-difluorocyclohexyl)-oxido-oxo-λ6-sulfanylidene]-ethylazanium?
[(4,4-difluorocyclohexyl)-oxido-oxo-λ6-sulfanylidene]-ethylazanium has a molecular weight of 227.28 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,4-difluorocyclohexyl)-oxido-oxo-λ6-sulfanylidene]-ethylazanium is sourced from PubChem (CID 163742026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).