2-(1,1-dioxothiolan-2-yl)-2,2-difluoroethanol

C6H10F2O3S — CID 105452680

IUPAC2-(1,1-dioxothiolan-2-yl)-2,2-difluoroethanol
SMILESO=S1(=O)CCCC1C(F)(F)CO
InChIInChI=1S/C6H10F2O3S/c7-6(8,4-9)5-2-1-3-12(5,10)11/h5,9H,1-4H2
InChIKeySLLWAEAJIWCHDQ-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.19
Rot. Bonds2

About 2-(1,1-dioxothiolan-2-yl)-2,2-difluoroethanol

2-(1,1-dioxothiolan-2-yl)-2,2-difluoroethanol (PubChem CID 105452680) has the molecular formula C6H10F2O3S and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-2-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-2-yl)-2,2-difluoroethanol
PubChem CID105452680
Molecular FormulaC6H10F2O3S
Molecular Weight200.21 g/mol
Exact Mass200.03
IUPAC Name2-(1,1-dioxothiolan-2-yl)-2,2-difluoroethanol
SMILESO=S1(=O)CCCC1C(F)(F)CO
InChIInChI=1S/C6H10F2O3S/c7-6(8,4-9)5-2-1-3-12(5,10)11/h5,9H,1-4H2
InChIKeySLLWAEAJIWCHDQ-UHFFFAOYSA-N
XLogP0.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,1-Dioxothiolan-2-yl)methanol
CID 84763218
7-(4,4,5,5,5-Pentafluoropentylsulfonyl)heptan-1-ol
CID 88159655
5,5,6,6-Tetrafluoro-6-methylsulfonylhexan-1-ol
CID 88941942
7-(3,3,3-Trifluoropropylsulfonyl)heptan-1-ol
CID 158241376
6-(3,3,3-Trifluoropropylsulfinyl)hexan-1-ol
CID 158610002
6-(3,3,3-Trifluoropropylsulfonyl)hexan-1-ol
CID 160253399
7-(4,4,4-Trifluorobutylsulfonyl)heptan-1-ol
CID 161360929
2,3,3,3-Tetrafluoropropan-1-ol;thiolane 1,1-dioxide
CID 174896597
5-(Trifluoromethylsulfonyl)pentan-1-ol
CID 54221954
2,2-Difluoro-2-(thiolan-2-yl)ethan-1-ol
CID 105433785
2-(1,1-Dioxothiolan-2-yl)-2-fluoroethanol
CID 105439992
3-(1,1-Dioxothiolan-3-yl)-2-fluoropropan-1-ol
CID 105449905

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-2-yl)-2,2-difluoroethanol?
The IUPAC name of 2-(1,1-dioxothiolan-2-yl)-2,2-difluoroethanol (CID 105452680) is 2-(1,1-dioxothiolan-2-yl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(1,1-dioxothiolan-2-yl)-2,2-difluoroethanol?
The canonical SMILES for 2-(1,1-dioxothiolan-2-yl)-2,2-difluoroethanol is O=S1(=O)CCCC1C(F)(F)CO.
What is the InChIKey of 2-(1,1-dioxothiolan-2-yl)-2,2-difluoroethanol?
The InChIKey is SLLWAEAJIWCHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O3S/c7-6(8,4-9)5-2-1-3-12(5,10)11/h5,9H,1-4H2.
What are the key properties of 2-(1,1-dioxothiolan-2-yl)-2,2-difluoroethanol?
2-(1,1-dioxothiolan-2-yl)-2,2-difluoroethanol has a molecular weight of 200.21 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-2-yl)-2,2-difluoroethanol is sourced from PubChem (CID 105452680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).