(4,4-difluoro-1,1-dioxothian-3-yl)methanol

C6H10F2O3S — CID 105452676

IUPAC(4,4-difluoro-1,1-dioxothian-3-yl)methanol
SMILESO=S1(=O)CCC(F)(F)C(CO)C1
InChIInChI=1S/C6H10F2O3S/c7-6(8)1-2-12(10,11)4-5(6)3-9/h5,9H,1-4H2
InChIKeyWHJWCUMKBPVTHB-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.05
Rot. Bonds1

About (4,4-difluoro-1,1-dioxothian-3-yl)methanol

(4,4-difluoro-1,1-dioxothian-3-yl)methanol (PubChem CID 105452676) has the molecular formula C6H10F2O3S and a molecular weight of 200.21 g/mol. Its IUPAC name is (4,4-difluoro-1,1-dioxothian-3-yl)methanol.

Molecular Properties

Compound Name(4,4-difluoro-1,1-dioxothian-3-yl)methanol
PubChem CID105452676
Molecular FormulaC6H10F2O3S
Molecular Weight200.21 g/mol
Exact Mass200.03
IUPAC Name(4,4-difluoro-1,1-dioxothian-3-yl)methanol
SMILESO=S1(=O)CCC(F)(F)C(CO)C1
InChIInChI=1S/C6H10F2O3S/c7-6(8)1-2-12(10,11)4-5(6)3-9/h5,9H,1-4H2
InChIKeyWHJWCUMKBPVTHB-UHFFFAOYSA-N
XLogP0.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4,4-difluoro-1,1-dioxothian-3-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 (4,4-difluoro-1,1-dioxothian-3-yl)methanol?
The IUPAC name of (4,4-difluoro-1,1-dioxothian-3-yl)methanol (CID 105452676) is (4,4-difluoro-1,1-dioxothian-3-yl)methanol.
What is the SMILES notation for (4,4-difluoro-1,1-dioxothian-3-yl)methanol?
The canonical SMILES for (4,4-difluoro-1,1-dioxothian-3-yl)methanol is O=S1(=O)CCC(F)(F)C(CO)C1.
What is the InChIKey of (4,4-difluoro-1,1-dioxothian-3-yl)methanol?
The InChIKey is WHJWCUMKBPVTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O3S/c7-6(8)1-2-12(10,11)4-5(6)3-9/h5,9H,1-4H2.
What are the key properties of (4,4-difluoro-1,1-dioxothian-3-yl)methanol?
(4,4-difluoro-1,1-dioxothian-3-yl)methanol has a molecular weight of 200.21 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1,1-dioxothian-3-yl)methanol is sourced from PubChem (CID 105452676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).