5-[4-(trifluoromethylsulfanyl)phenyl]oxolan-2-one

C11H9F3O2S — CID 103439629

IUPAC5-[4-(trifluoromethylsulfanyl)phenyl]oxolan-2-one
SMILESO=C1CCC(c2ccc(SC(F)(F)F)cc2)O1
InChIInChI=1S/C11H9F3O2S/c12-11(13,14)17-8-3-1-7(2-4-8)9-5-6-10(15)16-9/h1-4,9H,5-6H2
InChIKeyHINWOEXBSOAFNH-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.68
Rot. Bonds2

About 5-[4-(trifluoromethylsulfanyl)phenyl]oxolan-2-one

5-[4-(trifluoromethylsulfanyl)phenyl]oxolan-2-one (PubChem CID 103439629) has the molecular formula C11H9F3O2S and a molecular weight of 262.25 g/mol. Its IUPAC name is 5-[4-(trifluoromethylsulfanyl)phenyl]oxolan-2-one.

Molecular Properties

Compound Name5-[4-(trifluoromethylsulfanyl)phenyl]oxolan-2-one
PubChem CID103439629
Molecular FormulaC11H9F3O2S
Molecular Weight262.25 g/mol
Exact Mass262.03
IUPAC Name5-[4-(trifluoromethylsulfanyl)phenyl]oxolan-2-one
SMILESO=C1CCC(c2ccc(SC(F)(F)F)cc2)O1
InChIInChI=1S/C11H9F3O2S/c12-11(13,14)17-8-3-1-7(2-4-8)9-5-6-10(15)16-9/h1-4,9H,5-6H2
InChIKeyHINWOEXBSOAFNH-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethylsulfanyl)phenyl]oxolan-2-one?
The IUPAC name of 5-[4-(trifluoromethylsulfanyl)phenyl]oxolan-2-one (CID 103439629) is 5-[4-(trifluoromethylsulfanyl)phenyl]oxolan-2-one.
What is the SMILES notation for 5-[4-(trifluoromethylsulfanyl)phenyl]oxolan-2-one?
The canonical SMILES for 5-[4-(trifluoromethylsulfanyl)phenyl]oxolan-2-one is O=C1CCC(c2ccc(SC(F)(F)F)cc2)O1.
What is the InChIKey of 5-[4-(trifluoromethylsulfanyl)phenyl]oxolan-2-one?
The InChIKey is HINWOEXBSOAFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O2S/c12-11(13,14)17-8-3-1-7(2-4-8)9-5-6-10(15)16-9/h1-4,9H,5-6H2.
What are the key properties of 5-[4-(trifluoromethylsulfanyl)phenyl]oxolan-2-one?
5-[4-(trifluoromethylsulfanyl)phenyl]oxolan-2-one has a molecular weight of 262.25 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethylsulfanyl)phenyl]oxolan-2-one is sourced from PubChem (CID 103439629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).