2-(4-fluorophenyl)sulfanylcyclobutan-1-one

C10H9FOS — CID 134203399

IUPAC2-(4-fluorophenyl)sulfanylcyclobutan-1-one
SMILESO=C1CCC1Sc1ccc(F)cc1
InChIInChI=1S/C10H9FOS/c11-7-1-3-8(4-2-7)13-10-6-5-9(10)12/h1-4,10H,5-6H2
InChIKeyGBPZOGHKGCMDLU-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.65
Rot. Bonds2

About 2-(4-fluorophenyl)sulfanylcyclobutan-1-one

2-(4-fluorophenyl)sulfanylcyclobutan-1-one (PubChem CID 134203399) has the molecular formula C10H9FOS and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanylcyclobutan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanylcyclobutan-1-one
PubChem CID134203399
Molecular FormulaC10H9FOS
Molecular Weight196.25 g/mol
Exact Mass196.04
IUPAC Name2-(4-fluorophenyl)sulfanylcyclobutan-1-one
SMILESO=C1CCC1Sc1ccc(F)cc1
InChIInChI=1S/C10H9FOS/c11-7-1-3-8(4-2-7)13-10-6-5-9(10)12/h1-4,10H,5-6H2
InChIKeyGBPZOGHKGCMDLU-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanylcyclobutan-1-one?
The IUPAC name of 2-(4-fluorophenyl)sulfanylcyclobutan-1-one (CID 134203399) is 2-(4-fluorophenyl)sulfanylcyclobutan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanylcyclobutan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)sulfanylcyclobutan-1-one is O=C1CCC1Sc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanylcyclobutan-1-one?
The InChIKey is GBPZOGHKGCMDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS/c11-7-1-3-8(4-2-7)13-10-6-5-9(10)12/h1-4,10H,5-6H2.
What are the key properties of 2-(4-fluorophenyl)sulfanylcyclobutan-1-one?
2-(4-fluorophenyl)sulfanylcyclobutan-1-one has a molecular weight of 196.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanylcyclobutan-1-one is sourced from PubChem (CID 134203399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).