3-fluoro-2-methylsulfanyl-5-propyloxolane

C8H15FOS — CID 91578852

IUPAC3-fluoro-2-methylsulfanyl-5-propyloxolane
SMILESCCCC1CC(F)C(SC)O1
InChIInChI=1S/C8H15FOS/c1-3-4-6-5-7(9)8(10-6)11-2/h6-8H,3-5H2,1-2H3
InChIKeyRGJRMPLHNGYMCM-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.60
Rot. Bonds3

About 3-fluoro-2-methylsulfanyl-5-propyloxolane

3-fluoro-2-methylsulfanyl-5-propyloxolane (PubChem CID 91578852) has the molecular formula C8H15FOS and a molecular weight of 178.27 g/mol. Its IUPAC name is 3-fluoro-2-methylsulfanyl-5-propyloxolane.

Molecular Properties

Compound Name3-fluoro-2-methylsulfanyl-5-propyloxolane
PubChem CID91578852
Molecular FormulaC8H15FOS
Molecular Weight178.27 g/mol
Exact Mass178.08
IUPAC Name3-fluoro-2-methylsulfanyl-5-propyloxolane
SMILESCCCC1CC(F)C(SC)O1
InChIInChI=1S/C8H15FOS/c1-3-4-6-5-7(9)8(10-6)11-2/h6-8H,3-5H2,1-2H3
InChIKeyRGJRMPLHNGYMCM-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylsulfanyl-5-propyloxolane?
The IUPAC name of 3-fluoro-2-methylsulfanyl-5-propyloxolane (CID 91578852) is 3-fluoro-2-methylsulfanyl-5-propyloxolane.
What is the SMILES notation for 3-fluoro-2-methylsulfanyl-5-propyloxolane?
The canonical SMILES for 3-fluoro-2-methylsulfanyl-5-propyloxolane is CCCC1CC(F)C(SC)O1.
What is the InChIKey of 3-fluoro-2-methylsulfanyl-5-propyloxolane?
The InChIKey is RGJRMPLHNGYMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FOS/c1-3-4-6-5-7(9)8(10-6)11-2/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-2-methylsulfanyl-5-propyloxolane?
3-fluoro-2-methylsulfanyl-5-propyloxolane has a molecular weight of 178.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylsulfanyl-5-propyloxolane is sourced from PubChem (CID 91578852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).