2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid

C6H8F2O5S — CID 63166308

IUPAC2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid
SMILESO=C(O)C(F)(F)C1(O)CCS(=O)(=O)C1
InChIInChI=1S/C6H8F2O5S/c7-6(8,4(9)10)5(11)1-2-14(12,13)3-5/h11H,1-3H2,(H,9,10)
InChIKeyCYQCZYDFEYVLQC-UHFFFAOYSA-N
MW230.19 g/mol
LogP-0.74
Rot. Bonds2

About 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid

2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid (PubChem CID 63166308) has the molecular formula C6H8F2O5S and a molecular weight of 230.19 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid
PubChem CID63166308
Molecular FormulaC6H8F2O5S
Molecular Weight230.19 g/mol
Exact Mass230.01
IUPAC Name2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid
SMILESO=C(O)C(F)(F)C1(O)CCS(=O)(=O)C1
InChIInChI=1S/C6H8F2O5S/c7-6(8,4(9)10)5(11)1-2-14(12,13)3-5/h11H,1-3H2,(H,9,10)
InChIKeyCYQCZYDFEYVLQC-UHFFFAOYSA-N
XLogP-0.74
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid 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 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid (CID 63166308) is 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid is O=C(O)C(F)(F)C1(O)CCS(=O)(=O)C1.
What is the InChIKey of 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid?
The InChIKey is CYQCZYDFEYVLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O5S/c7-6(8,4(9)10)5(11)1-2-14(12,13)3-5/h11H,1-3H2,(H,9,10).
What are the key properties of 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid?
2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid has a molecular weight of 230.19 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid is sourced from PubChem (CID 63166308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).