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

C5H8F2O3S — CID 105441984

IUPAC(4,4-difluoro-1,1-dioxothiolan-3-yl)methanol
SMILESO=S1(=O)CC(CO)C(F)(F)C1
InChIInChI=1S/C5H8F2O3S/c6-5(7)3-11(9,10)2-4(5)1-8/h4,8H,1-3H2
InChIKeyRDCCVMPDDFNHOA-UHFFFAOYSA-N
MW186.18 g/mol
LogP-0.34
Rot. Bonds1

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

(4,4-difluoro-1,1-dioxothiolan-3-yl)methanol (PubChem CID 105441984) has the molecular formula C5H8F2O3S and a molecular weight of 186.18 g/mol. Its IUPAC name is (4,4-difluoro-1,1-dioxothiolan-3-yl)methanol.

Molecular Properties

Compound Name(4,4-difluoro-1,1-dioxothiolan-3-yl)methanol
PubChem CID105441984
Molecular FormulaC5H8F2O3S
Molecular Weight186.18 g/mol
Exact Mass186.02
IUPAC Name(4,4-difluoro-1,1-dioxothiolan-3-yl)methanol
SMILESO=S1(=O)CC(CO)C(F)(F)C1
InChIInChI=1S/C5H8F2O3S/c6-5(7)3-11(9,10)2-4(5)1-8/h4,8H,1-3H2
InChIKeyRDCCVMPDDFNHOA-UHFFFAOYSA-N
XLogP-0.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-1,1-dioxothiolan-3-yl)methanol?
The IUPAC name of (4,4-difluoro-1,1-dioxothiolan-3-yl)methanol (CID 105441984) is (4,4-difluoro-1,1-dioxothiolan-3-yl)methanol.
What is the SMILES notation for (4,4-difluoro-1,1-dioxothiolan-3-yl)methanol?
The canonical SMILES for (4,4-difluoro-1,1-dioxothiolan-3-yl)methanol is O=S1(=O)CC(CO)C(F)(F)C1.
What is the InChIKey of (4,4-difluoro-1,1-dioxothiolan-3-yl)methanol?
The InChIKey is RDCCVMPDDFNHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O3S/c6-5(7)3-11(9,10)2-4(5)1-8/h4,8H,1-3H2.
What are the key properties of (4,4-difluoro-1,1-dioxothiolan-3-yl)methanol?
(4,4-difluoro-1,1-dioxothiolan-3-yl)methanol has a molecular weight of 186.18 g/mol, XLogP of -0.34, 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-dioxothiolan-3-yl)methanol is sourced from PubChem (CID 105441984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).