(3-fluoro-1,1-dioxothiolan-3-yl)methanol

C5H9FO3S — CID 126845894

IUPAC(3-fluoro-1,1-dioxothiolan-3-yl)methanol
SMILESO=S1(=O)CCC(F)(CO)C1
InChIInChI=1S/C5H9FO3S/c6-5(3-7)1-2-10(8,9)4-5/h7H,1-4H2
InChIKeyDXSJWBAONGORPR-UHFFFAOYSA-N
MW168.19 g/mol
LogP-0.49
Rot. Bonds1

About (3-fluoro-1,1-dioxothiolan-3-yl)methanol

(3-fluoro-1,1-dioxothiolan-3-yl)methanol (PubChem CID 126845894) has the molecular formula C5H9FO3S and a molecular weight of 168.19 g/mol. Its IUPAC name is (3-fluoro-1,1-dioxothiolan-3-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-1,1-dioxothiolan-3-yl)methanol
PubChem CID126845894
Molecular FormulaC5H9FO3S
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Name(3-fluoro-1,1-dioxothiolan-3-yl)methanol
SMILESO=S1(=O)CCC(F)(CO)C1
InChIInChI=1S/C5H9FO3S/c6-5(3-7)1-2-10(8,9)4-5/h7H,1-4H2
InChIKeyDXSJWBAONGORPR-UHFFFAOYSA-N
XLogP-0.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1,1-dioxothiolan-3-yl)methanol?
The IUPAC name of (3-fluoro-1,1-dioxothiolan-3-yl)methanol (CID 126845894) is (3-fluoro-1,1-dioxothiolan-3-yl)methanol.
What is the SMILES notation for (3-fluoro-1,1-dioxothiolan-3-yl)methanol?
The canonical SMILES for (3-fluoro-1,1-dioxothiolan-3-yl)methanol is O=S1(=O)CCC(F)(CO)C1.
What is the InChIKey of (3-fluoro-1,1-dioxothiolan-3-yl)methanol?
The InChIKey is DXSJWBAONGORPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3S/c6-5(3-7)1-2-10(8,9)4-5/h7H,1-4H2.
What are the key properties of (3-fluoro-1,1-dioxothiolan-3-yl)methanol?
(3-fluoro-1,1-dioxothiolan-3-yl)methanol has a molecular weight of 168.19 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-1,1-dioxothiolan-3-yl)methanol is sourced from PubChem (CID 126845894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).