2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanol

C6H10F2O3S — CID 105452679

IUPAC2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanol
SMILESO=S1(=O)CCC(C(F)(F)CO)C1
InChIInChI=1S/C6H10F2O3S/c7-6(8,4-9)5-1-2-12(10,11)3-5/h5,9H,1-4H2
InChIKeyNOTPCAOKJJZEFE-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.05
Rot. Bonds2

About 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanol

2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanol (PubChem CID 105452679) has the molecular formula C6H10F2O3S and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanol
PubChem CID105452679
Molecular FormulaC6H10F2O3S
Molecular Weight200.21 g/mol
Exact Mass200.03
IUPAC Name2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanol
SMILESO=S1(=O)CCC(C(F)(F)CO)C1
InChIInChI=1S/C6H10F2O3S/c7-6(8,4-9)5-1-2-12(10,11)3-5/h5,9H,1-4H2
InChIKeyNOTPCAOKJJZEFE-UHFFFAOYSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanol?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanol (CID 105452679) is 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanol?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanol is O=S1(=O)CCC(C(F)(F)CO)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanol?
The InChIKey is NOTPCAOKJJZEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O3S/c7-6(8,4-9)5-1-2-12(10,11)3-5/h5,9H,1-4H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanol?
2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanol has a molecular weight of 200.21 g/mol, XLogP of 0.05, 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-3-yl)-2,2-difluoroethanol is sourced from PubChem (CID 105452679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).