3-(1,1-dioxothian-4-yl)-2-fluoropropan-1-ol

C8H15FO3S — CID 105464111

IUPAC3-(1,1-dioxothian-4-yl)-2-fluoropropan-1-ol
SMILESO=S1(=O)CCC(CC(F)CO)CC1
InChIInChI=1S/C8H15FO3S/c9-8(6-10)5-7-1-3-13(11,12)4-2-7/h7-8,10H,1-6H2
InChIKeyOKIAVKZWHCDIQU-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.53
Rot. Bonds3

About 3-(1,1-dioxothian-4-yl)-2-fluoropropan-1-ol

3-(1,1-dioxothian-4-yl)-2-fluoropropan-1-ol (PubChem CID 105464111) has the molecular formula C8H15FO3S and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-(1,1-dioxothian-4-yl)-2-fluoropropan-1-ol.

Molecular Properties

Compound Name3-(1,1-dioxothian-4-yl)-2-fluoropropan-1-ol
PubChem CID105464111
Molecular FormulaC8H15FO3S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name3-(1,1-dioxothian-4-yl)-2-fluoropropan-1-ol
SMILESO=S1(=O)CCC(CC(F)CO)CC1
InChIInChI=1S/C8H15FO3S/c9-8(6-10)5-7-1-3-13(11,12)4-2-7/h7-8,10H,1-6H2
InChIKeyOKIAVKZWHCDIQU-UHFFFAOYSA-N
XLogP0.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-4-yl)-2-fluoropropan-1-ol?
The IUPAC name of 3-(1,1-dioxothian-4-yl)-2-fluoropropan-1-ol (CID 105464111) is 3-(1,1-dioxothian-4-yl)-2-fluoropropan-1-ol.
What is the SMILES notation for 3-(1,1-dioxothian-4-yl)-2-fluoropropan-1-ol?
The canonical SMILES for 3-(1,1-dioxothian-4-yl)-2-fluoropropan-1-ol is O=S1(=O)CCC(CC(F)CO)CC1.
What is the InChIKey of 3-(1,1-dioxothian-4-yl)-2-fluoropropan-1-ol?
The InChIKey is OKIAVKZWHCDIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO3S/c9-8(6-10)5-7-1-3-13(11,12)4-2-7/h7-8,10H,1-6H2.
What are the key properties of 3-(1,1-dioxothian-4-yl)-2-fluoropropan-1-ol?
3-(1,1-dioxothian-4-yl)-2-fluoropropan-1-ol has a molecular weight of 210.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-4-yl)-2-fluoropropan-1-ol is sourced from PubChem (CID 105464111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).