ethylidene-(fluoromethyl)-oxo-piperidin-1-yl-λ6-sulfane

C8H16FNOS — CID 144859978

IUPACethylidene-(fluoromethyl)-oxo-piperidin-1-yl-λ6-sulfane
SMILESCC=S(=O)(CF)N1CCCCC1
InChIInChI=1S/C8H16FNOS/c1-2-12(11,8-9)10-6-4-3-5-7-10/h2H,3-8H2,1H3
InChIKeyPJLXOQYDTHPLIA-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.42
Rot. Bonds2

About ethylidene-(fluoromethyl)-oxo-piperidin-1-yl-λ6-sulfane

ethylidene-(fluoromethyl)-oxo-piperidin-1-yl-λ6-sulfane (PubChem CID 144859978) has the molecular formula C8H16FNOS and a molecular weight of 193.29 g/mol. Its IUPAC name is ethylidene-(fluoromethyl)-oxo-piperidin-1-yl-λ6-sulfane.

Molecular Properties

Compound Nameethylidene-(fluoromethyl)-oxo-piperidin-1-yl-λ6-sulfane
PubChem CID144859978
Molecular FormulaC8H16FNOS
Molecular Weight193.29 g/mol
Exact Mass193.09
IUPAC Nameethylidene-(fluoromethyl)-oxo-piperidin-1-yl-λ6-sulfane
SMILESCC=S(=O)(CF)N1CCCCC1
InChIInChI=1S/C8H16FNOS/c1-2-12(11,8-9)10-6-4-3-5-7-10/h2H,3-8H2,1H3
InChIKeyPJLXOQYDTHPLIA-UHFFFAOYSA-N
XLogP1.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylidene-(fluoromethyl)-oxo-piperidin-1-yl-λ6-sulfane?
The IUPAC name of ethylidene-(fluoromethyl)-oxo-piperidin-1-yl-λ6-sulfane (CID 144859978) is ethylidene-(fluoromethyl)-oxo-piperidin-1-yl-λ6-sulfane.
What is the SMILES notation for ethylidene-(fluoromethyl)-oxo-piperidin-1-yl-λ6-sulfane?
The canonical SMILES for ethylidene-(fluoromethyl)-oxo-piperidin-1-yl-λ6-sulfane is CC=S(=O)(CF)N1CCCCC1.
What is the InChIKey of ethylidene-(fluoromethyl)-oxo-piperidin-1-yl-λ6-sulfane?
The InChIKey is PJLXOQYDTHPLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNOS/c1-2-12(11,8-9)10-6-4-3-5-7-10/h2H,3-8H2,1H3.
What are the key properties of ethylidene-(fluoromethyl)-oxo-piperidin-1-yl-λ6-sulfane?
ethylidene-(fluoromethyl)-oxo-piperidin-1-yl-λ6-sulfane has a molecular weight of 193.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene-(fluoromethyl)-oxo-piperidin-1-yl-λ6-sulfane is sourced from PubChem (CID 144859978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).