(4-fluoro-1,1-dioxothian-4-yl)methanol

C6H11FO3S — CID 126845686

IUPAC(4-fluoro-1,1-dioxothian-4-yl)methanol
SMILESO=S1(=O)CCC(F)(CO)CC1
InChIInChI=1S/C6H11FO3S/c7-6(5-8)1-3-11(9,10)4-2-6/h8H,1-5H2
InChIKeyAWHBAVZTQOXAGD-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.10
Rot. Bonds1

About (4-fluoro-1,1-dioxothian-4-yl)methanol

(4-fluoro-1,1-dioxothian-4-yl)methanol (PubChem CID 126845686) has the molecular formula C6H11FO3S and a molecular weight of 182.22 g/mol. Its IUPAC name is (4-fluoro-1,1-dioxothian-4-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-1,1-dioxothian-4-yl)methanol
PubChem CID126845686
Molecular FormulaC6H11FO3S
Molecular Weight182.22 g/mol
Exact Mass182.04
IUPAC Name(4-fluoro-1,1-dioxothian-4-yl)methanol
SMILESO=S1(=O)CCC(F)(CO)CC1
InChIInChI=1S/C6H11FO3S/c7-6(5-8)1-3-11(9,10)4-2-6/h8H,1-5H2
InChIKeyAWHBAVZTQOXAGD-UHFFFAOYSA-N
XLogP-0.10
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-fluoro-1,1-dioxothian-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-fluoro-8,8-dioxo-8λ6-thia-5-azoniaspiro[4.5]decan-3-yl)methanol chloride
CID 138046081
(4-methyl-1,1-dioxothian-4-yl)methanol
CID 129107203
(4-fluoro-1-methylpiperidin-4-yl)methanol
CID 24729611
4-ethylsulfanyl-1,1-dioxothiane-4-carboxylic acid
CID 82237024
[1,1-dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol
CID 63166303
2-[[4-(aminomethyl)-1,1-dioxothian-4-yl]amino]ethanol
CID 65382561
4-methyl-1,1-dioxothian-4-ol
CID 58387715
4-(6-hydroxyhexyl)-1,1-dioxothiane-4-carboxylic acid
CID 146658372
1,1-dioxo-4-propylthiane-4-carboxylic acid
CID 118669196
4-(aminooxymethyl)-1,1-dioxothiane-4-carboxylic acid
CID 105480386
1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 175321158
2-(4-hydroxy-1,1-dioxothiepan-4-yl)acetic acid
CID 115033307

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1,1-dioxothian-4-yl)methanol?
The IUPAC name of (4-fluoro-1,1-dioxothian-4-yl)methanol (CID 126845686) is (4-fluoro-1,1-dioxothian-4-yl)methanol.
What is the SMILES notation for (4-fluoro-1,1-dioxothian-4-yl)methanol?
The canonical SMILES for (4-fluoro-1,1-dioxothian-4-yl)methanol is O=S1(=O)CCC(F)(CO)CC1.
What is the InChIKey of (4-fluoro-1,1-dioxothian-4-yl)methanol?
The InChIKey is AWHBAVZTQOXAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3S/c7-6(5-8)1-3-11(9,10)4-2-6/h8H,1-5H2.
What are the key properties of (4-fluoro-1,1-dioxothian-4-yl)methanol?
(4-fluoro-1,1-dioxothian-4-yl)methanol has a molecular weight of 182.22 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1,1-dioxothian-4-yl)methanol is sourced from PubChem (CID 126845686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).