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

C7H13FO3S — CID 105449902

IUPAC(3-fluoro-4-methyl-1,1-dioxothian-4-yl)methanol
SMILESCC1(CO)CCS(=O)(=O)CC1F
InChIInChI=1S/C7H13FO3S/c1-7(5-9)2-3-12(10,11)4-6(7)8/h6,9H,2-5H2,1H3
InChIKeyQXRMFNIZHBEXAQ-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.14
Rot. Bonds1

About (3-fluoro-4-methyl-1,1-dioxothian-4-yl)methanol

(3-fluoro-4-methyl-1,1-dioxothian-4-yl)methanol (PubChem CID 105449902) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is (3-fluoro-4-methyl-1,1-dioxothian-4-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-methyl-1,1-dioxothian-4-yl)methanol
PubChem CID105449902
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name(3-fluoro-4-methyl-1,1-dioxothian-4-yl)methanol
SMILESCC1(CO)CCS(=O)(=O)CC1F
InChIInChI=1S/C7H13FO3S/c1-7(5-9)2-3-12(10,11)4-6(7)8/h6,9H,2-5H2,1H3
InChIKeyQXRMFNIZHBEXAQ-UHFFFAOYSA-N
XLogP0.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

Analyze (3-fluoro-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methyl-1,1-dioxothian-4-yl)methanol?
The IUPAC name of (3-fluoro-4-methyl-1,1-dioxothian-4-yl)methanol (CID 105449902) is (3-fluoro-4-methyl-1,1-dioxothian-4-yl)methanol.
What is the SMILES notation for (3-fluoro-4-methyl-1,1-dioxothian-4-yl)methanol?
The canonical SMILES for (3-fluoro-4-methyl-1,1-dioxothian-4-yl)methanol is CC1(CO)CCS(=O)(=O)CC1F.
What is the InChIKey of (3-fluoro-4-methyl-1,1-dioxothian-4-yl)methanol?
The InChIKey is QXRMFNIZHBEXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c1-7(5-9)2-3-12(10,11)4-6(7)8/h6,9H,2-5H2,1H3.
What are the key properties of (3-fluoro-4-methyl-1,1-dioxothian-4-yl)methanol?
(3-fluoro-4-methyl-1,1-dioxothian-4-yl)methanol has a molecular weight of 196.24 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methyl-1,1-dioxothian-4-yl)methanol is sourced from PubChem (CID 105449902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).