cyclobutyl-(4-fluorophenyl)-methylidene-oxo-λ6-sulfane

C11H13FOS — CID 89038379

IUPACcyclobutyl-(4-fluorophenyl)-methylidene-oxo-λ6-sulfane
SMILESC=S(=O)(c1ccc(F)cc1)C1CCC1
InChIInChI=1S/C11H13FOS/c1-14(13,10-3-2-4-10)11-7-5-9(12)6-8-11/h5-8,10H,1-4H2
InChIKeyFRQHLADIFDEBHP-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.45
Rot. Bonds2

About cyclobutyl-(4-fluorophenyl)-methylidene-oxo-λ6-sulfane

cyclobutyl-(4-fluorophenyl)-methylidene-oxo-λ6-sulfane (PubChem CID 89038379) has the molecular formula C11H13FOS and a molecular weight of 212.29 g/mol. Its IUPAC name is cyclobutyl-(4-fluorophenyl)-methylidene-oxo-λ6-sulfane.

Molecular Properties

Compound Namecyclobutyl-(4-fluorophenyl)-methylidene-oxo-λ6-sulfane
PubChem CID89038379
Molecular FormulaC11H13FOS
Molecular Weight212.29 g/mol
Exact Mass212.07
IUPAC Namecyclobutyl-(4-fluorophenyl)-methylidene-oxo-λ6-sulfane
SMILESC=S(=O)(c1ccc(F)cc1)C1CCC1
InChIInChI=1S/C11H13FOS/c1-14(13,10-3-2-4-10)11-7-5-9(12)6-8-11/h5-8,10H,1-4H2
InChIKeyFRQHLADIFDEBHP-UHFFFAOYSA-N
XLogP2.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(4-fluorophenyl)-methylidene-oxo-λ6-sulfane?
The IUPAC name of cyclobutyl-(4-fluorophenyl)-methylidene-oxo-λ6-sulfane (CID 89038379) is cyclobutyl-(4-fluorophenyl)-methylidene-oxo-λ6-sulfane.
What is the SMILES notation for cyclobutyl-(4-fluorophenyl)-methylidene-oxo-λ6-sulfane?
The canonical SMILES for cyclobutyl-(4-fluorophenyl)-methylidene-oxo-λ6-sulfane is C=S(=O)(c1ccc(F)cc1)C1CCC1.
What is the InChIKey of cyclobutyl-(4-fluorophenyl)-methylidene-oxo-λ6-sulfane?
The InChIKey is FRQHLADIFDEBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FOS/c1-14(13,10-3-2-4-10)11-7-5-9(12)6-8-11/h5-8,10H,1-4H2.
What are the key properties of cyclobutyl-(4-fluorophenyl)-methylidene-oxo-λ6-sulfane?
cyclobutyl-(4-fluorophenyl)-methylidene-oxo-λ6-sulfane has a molecular weight of 212.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(4-fluorophenyl)-methylidene-oxo-λ6-sulfane is sourced from PubChem (CID 89038379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).