methyl 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetate

C7H10F2O5S — CID 131364625

IUPACmethyl 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetate
SMILESCOC(=O)C(F)(F)C1(O)CCS(=O)(=O)C1
InChIInChI=1S/C7H10F2O5S/c1-14-5(10)7(8,9)6(11)2-3-15(12,13)4-6/h11H,2-4H2,1H3
InChIKeyUOLJTRBBIGFZPX-UHFFFAOYSA-N
MW244.21 g/mol
LogP-0.66
Rot. Bonds2

About methyl 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetate

methyl 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetate (PubChem CID 131364625) has the molecular formula C7H10F2O5S and a molecular weight of 244.21 g/mol. Its IUPAC name is methyl 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetate
PubChem CID131364625
Molecular FormulaC7H10F2O5S
Molecular Weight244.21 g/mol
Exact Mass244.02
IUPAC Namemethyl 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetate
SMILESCOC(=O)C(F)(F)C1(O)CCS(=O)(=O)C1
InChIInChI=1S/C7H10F2O5S/c1-14-5(10)7(8,9)6(11)2-3-15(12,13)4-6/h11H,2-4H2,1H3
InChIKeyUOLJTRBBIGFZPX-UHFFFAOYSA-N
XLogP-0.66
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetate?
The IUPAC name of methyl 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetate (CID 131364625) is methyl 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetate.
What is the SMILES notation for methyl 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetate?
The canonical SMILES for methyl 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetate is COC(=O)C(F)(F)C1(O)CCS(=O)(=O)C1.
What is the InChIKey of methyl 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetate?
The InChIKey is UOLJTRBBIGFZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O5S/c1-14-5(10)7(8,9)6(11)2-3-15(12,13)4-6/h11H,2-4H2,1H3.
What are the key properties of methyl 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetate?
methyl 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetate has a molecular weight of 244.21 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetate is sourced from PubChem (CID 131364625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).