2-fluoro-2-(3-hydroxythian-3-yl)acetic acid

C7H11FO3S — CID 79366891

IUPAC2-fluoro-2-(3-hydroxythian-3-yl)acetic acid
SMILESO=C(O)C(F)C1(O)CCCSC1
InChIInChI=1S/C7H11FO3S/c8-5(6(9)10)7(11)2-1-3-12-4-7/h5,11H,1-4H2,(H,9,10)
InChIKeyYHRBCYTXGOBJIW-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.67
Rot. Bonds2

About 2-fluoro-2-(3-hydroxythian-3-yl)acetic acid

2-fluoro-2-(3-hydroxythian-3-yl)acetic acid (PubChem CID 79366891) has the molecular formula C7H11FO3S and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-fluoro-2-(3-hydroxythian-3-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(3-hydroxythian-3-yl)acetic acid
PubChem CID79366891
Molecular FormulaC7H11FO3S
Molecular Weight194.23 g/mol
Exact Mass194.04
IUPAC Name2-fluoro-2-(3-hydroxythian-3-yl)acetic acid
SMILESO=C(O)C(F)C1(O)CCCSC1
InChIInChI=1S/C7H11FO3S/c8-5(6(9)10)7(11)2-1-3-12-4-7/h5,11H,1-4H2,(H,9,10)
InChIKeyYHRBCYTXGOBJIW-UHFFFAOYSA-N
XLogP0.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-2-(3-hydroxythian-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-fluoro-2-(3-hydroxythian-3-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(3-hydroxythian-3-yl)acetic acid (CID 79366891) is 2-fluoro-2-(3-hydroxythian-3-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(3-hydroxythian-3-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(3-hydroxythian-3-yl)acetic acid is O=C(O)C(F)C1(O)CCCSC1.
What is the InChIKey of 2-fluoro-2-(3-hydroxythian-3-yl)acetic acid?
The InChIKey is YHRBCYTXGOBJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3S/c8-5(6(9)10)7(11)2-1-3-12-4-7/h5,11H,1-4H2,(H,9,10).
What are the key properties of 2-fluoro-2-(3-hydroxythian-3-yl)acetic acid?
2-fluoro-2-(3-hydroxythian-3-yl)acetic acid has a molecular weight of 194.23 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-hydroxythian-3-yl)acetic acid is sourced from PubChem (CID 79366891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).