4-fluoro-2-propyl-1,3-oxathiolan-5-one

C6H9FO2S — CID 15354356

IUPAC4-fluoro-2-propyl-1,3-oxathiolan-5-one
SMILESCCCC1OC(=O)C(F)S1
InChIInChI=1S/C6H9FO2S/c1-2-3-4-9-6(8)5(7)10-4/h4-5H,2-3H2,1H3
InChIKeyKFJCOIZBOIFMLM-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.70
Rot. Bonds2

About 4-fluoro-2-propyl-1,3-oxathiolan-5-one

4-fluoro-2-propyl-1,3-oxathiolan-5-one (PubChem CID 15354356) has the molecular formula C6H9FO2S and a molecular weight of 164.20 g/mol. Its IUPAC name is 4-fluoro-2-propyl-1,3-oxathiolan-5-one.

Molecular Properties

Compound Name4-fluoro-2-propyl-1,3-oxathiolan-5-one
PubChem CID15354356
Molecular FormulaC6H9FO2S
Molecular Weight164.20 g/mol
Exact Mass164.03
IUPAC Name4-fluoro-2-propyl-1,3-oxathiolan-5-one
SMILESCCCC1OC(=O)C(F)S1
InChIInChI=1S/C6H9FO2S/c1-2-3-4-9-6(8)5(7)10-4/h4-5H,2-3H2,1H3
InChIKeyKFJCOIZBOIFMLM-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-propyl-1,3-oxathiolan-5-one?
The IUPAC name of 4-fluoro-2-propyl-1,3-oxathiolan-5-one (CID 15354356) is 4-fluoro-2-propyl-1,3-oxathiolan-5-one.
What is the SMILES notation for 4-fluoro-2-propyl-1,3-oxathiolan-5-one?
The canonical SMILES for 4-fluoro-2-propyl-1,3-oxathiolan-5-one is CCCC1OC(=O)C(F)S1.
What is the InChIKey of 4-fluoro-2-propyl-1,3-oxathiolan-5-one?
The InChIKey is KFJCOIZBOIFMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2S/c1-2-3-4-9-6(8)5(7)10-4/h4-5H,2-3H2,1H3.
What are the key properties of 4-fluoro-2-propyl-1,3-oxathiolan-5-one?
4-fluoro-2-propyl-1,3-oxathiolan-5-one has a molecular weight of 164.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-propyl-1,3-oxathiolan-5-one is sourced from PubChem (CID 15354356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).