2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid

C8H6F2O2S — CID 79357614

IUPAC2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid
SMILESO=C(O)C(F)Sc1ccccc1F
InChIInChI=1S/C8H6F2O2S/c9-5-3-1-2-4-6(5)13-7(10)8(11)12/h1-4,7H,(H,11,12)
InChIKeyDDSCCOBOKKFFGW-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.30
Rot. Bonds3

About 2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid

2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid (PubChem CID 79357614) has the molecular formula C8H6F2O2S and a molecular weight of 204.20 g/mol. Its IUPAC name is 2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid.

Molecular Properties

Compound Name2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid
PubChem CID79357614
Molecular FormulaC8H6F2O2S
Molecular Weight204.20 g/mol
Exact Mass204.01
IUPAC Name2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid
SMILESO=C(O)C(F)Sc1ccccc1F
InChIInChI=1S/C8H6F2O2S/c9-5-3-1-2-4-6(5)13-7(10)8(11)12/h1-4,7H,(H,11,12)
InChIKeyDDSCCOBOKKFFGW-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-2-(2-fluorophenyl)sulfanylacetic 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-fluoro-2-(2-fluorophenyl)sulfanylacetic acid?
The IUPAC name of 2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid (CID 79357614) is 2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid.
What is the SMILES notation for 2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid?
The canonical SMILES for 2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid is O=C(O)C(F)Sc1ccccc1F.
What is the InChIKey of 2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid?
The InChIKey is DDSCCOBOKKFFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O2S/c9-5-3-1-2-4-6(5)13-7(10)8(11)12/h1-4,7H,(H,11,12).
What are the key properties of 2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid?
2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid has a molecular weight of 204.20 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid is sourced from PubChem (CID 79357614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).