5-ethyl-4-fluoro-2-propan-2-ylsulfanyloxolan-3-ol

C9H17FO2S — CID 167191355

IUPAC5-ethyl-4-fluoro-2-propan-2-ylsulfanyloxolan-3-ol
SMILESCCC1OC(SC(C)C)C(O)C1F
InChIInChI=1S/C9H17FO2S/c1-4-6-7(10)8(11)9(12-6)13-5(2)3/h5-9,11H,4H2,1-3H3
InChIKeyGZXWRWMVXGSCDD-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.96
Rot. Bonds3

About 5-ethyl-4-fluoro-2-propan-2-ylsulfanyloxolan-3-ol

5-ethyl-4-fluoro-2-propan-2-ylsulfanyloxolan-3-ol (PubChem CID 167191355) has the molecular formula C9H17FO2S and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-ethyl-4-fluoro-2-propan-2-ylsulfanyloxolan-3-ol.

Molecular Properties

Compound Name5-ethyl-4-fluoro-2-propan-2-ylsulfanyloxolan-3-ol
PubChem CID167191355
Molecular FormulaC9H17FO2S
Molecular Weight208.30 g/mol
Exact Mass208.09
IUPAC Name5-ethyl-4-fluoro-2-propan-2-ylsulfanyloxolan-3-ol
SMILESCCC1OC(SC(C)C)C(O)C1F
InChIInChI=1S/C9H17FO2S/c1-4-6-7(10)8(11)9(12-6)13-5(2)3/h5-9,11H,4H2,1-3H3
InChIKeyGZXWRWMVXGSCDD-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-fluoro-2-propan-2-ylsulfanyloxolan-3-ol?
The IUPAC name of 5-ethyl-4-fluoro-2-propan-2-ylsulfanyloxolan-3-ol (CID 167191355) is 5-ethyl-4-fluoro-2-propan-2-ylsulfanyloxolan-3-ol.
What is the SMILES notation for 5-ethyl-4-fluoro-2-propan-2-ylsulfanyloxolan-3-ol?
The canonical SMILES for 5-ethyl-4-fluoro-2-propan-2-ylsulfanyloxolan-3-ol is CCC1OC(SC(C)C)C(O)C1F.
What is the InChIKey of 5-ethyl-4-fluoro-2-propan-2-ylsulfanyloxolan-3-ol?
The InChIKey is GZXWRWMVXGSCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO2S/c1-4-6-7(10)8(11)9(12-6)13-5(2)3/h5-9,11H,4H2,1-3H3.
What are the key properties of 5-ethyl-4-fluoro-2-propan-2-ylsulfanyloxolan-3-ol?
5-ethyl-4-fluoro-2-propan-2-ylsulfanyloxolan-3-ol has a molecular weight of 208.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-fluoro-2-propan-2-ylsulfanyloxolan-3-ol is sourced from PubChem (CID 167191355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).