4-(2-fluoroethyl)thiolan-3-one

C6H9FOS — CID 83191762

IUPAC4-(2-fluoroethyl)thiolan-3-one
SMILESO=C1CSCC1CCF
InChIInChI=1S/C6H9FOS/c7-2-1-5-3-9-4-6(5)8/h5H,1-4H2
InChIKeyZCWNVTUYCIFPFI-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.28
Rot. Bonds2

About 4-(2-fluoroethyl)thiolan-3-one

4-(2-fluoroethyl)thiolan-3-one (PubChem CID 83191762) has the molecular formula C6H9FOS and a molecular weight of 148.20 g/mol. Its IUPAC name is 4-(2-fluoroethyl)thiolan-3-one.

Molecular Properties

Compound Name4-(2-fluoroethyl)thiolan-3-one
PubChem CID83191762
Molecular FormulaC6H9FOS
Molecular Weight148.20 g/mol
Exact Mass148.04
IUPAC Name4-(2-fluoroethyl)thiolan-3-one
SMILESO=C1CSCC1CCF
InChIInChI=1S/C6H9FOS/c7-2-1-5-3-9-4-6(5)8/h5H,1-4H2
InChIKeyZCWNVTUYCIFPFI-UHFFFAOYSA-N
XLogP1.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)thiolan-3-one?
The IUPAC name of 4-(2-fluoroethyl)thiolan-3-one (CID 83191762) is 4-(2-fluoroethyl)thiolan-3-one.
What is the SMILES notation for 4-(2-fluoroethyl)thiolan-3-one?
The canonical SMILES for 4-(2-fluoroethyl)thiolan-3-one is O=C1CSCC1CCF.
What is the InChIKey of 4-(2-fluoroethyl)thiolan-3-one?
The InChIKey is ZCWNVTUYCIFPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FOS/c7-2-1-5-3-9-4-6(5)8/h5H,1-4H2.
What are the key properties of 4-(2-fluoroethyl)thiolan-3-one?
4-(2-fluoroethyl)thiolan-3-one has a molecular weight of 148.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)thiolan-3-one is sourced from PubChem (CID 83191762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).