2-(3-fluoro-1,1-dioxothian-4-yl)ethanol

C7H13FO3S — CID 105449904

IUPAC2-(3-fluoro-1,1-dioxothian-4-yl)ethanol
SMILESO=S1(=O)CCC(CCO)C(F)C1
InChIInChI=1S/C7H13FO3S/c8-7-5-12(10,11)4-2-6(7)1-3-9/h6-7,9H,1-5H2
InChIKeyRUWMXCAEIXPODA-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.14
Rot. Bonds2

About 2-(3-fluoro-1,1-dioxothian-4-yl)ethanol

2-(3-fluoro-1,1-dioxothian-4-yl)ethanol (PubChem CID 105449904) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-(3-fluoro-1,1-dioxothian-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-fluoro-1,1-dioxothian-4-yl)ethanol
PubChem CID105449904
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name2-(3-fluoro-1,1-dioxothian-4-yl)ethanol
SMILESO=S1(=O)CCC(CCO)C(F)C1
InChIInChI=1S/C7H13FO3S/c8-7-5-12(10,11)4-2-6(7)1-3-9/h6-7,9H,1-5H2
InChIKeyRUWMXCAEIXPODA-UHFFFAOYSA-N
XLogP0.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1,1-dioxothian-4-yl)ethanol?
The IUPAC name of 2-(3-fluoro-1,1-dioxothian-4-yl)ethanol (CID 105449904) is 2-(3-fluoro-1,1-dioxothian-4-yl)ethanol.
What is the SMILES notation for 2-(3-fluoro-1,1-dioxothian-4-yl)ethanol?
The canonical SMILES for 2-(3-fluoro-1,1-dioxothian-4-yl)ethanol is O=S1(=O)CCC(CCO)C(F)C1.
What is the InChIKey of 2-(3-fluoro-1,1-dioxothian-4-yl)ethanol?
The InChIKey is RUWMXCAEIXPODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c8-7-5-12(10,11)4-2-6(7)1-3-9/h6-7,9H,1-5H2.
What are the key properties of 2-(3-fluoro-1,1-dioxothian-4-yl)ethanol?
2-(3-fluoro-1,1-dioxothian-4-yl)ethanol has a molecular weight of 196.24 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-1,1-dioxothian-4-yl)ethanol is sourced from PubChem (CID 105449904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).