2-(3-fluoropropyl)thiolane-2-carboxylic acid

C8H13FO2S — CID 83173771

IUPAC2-(3-fluoropropyl)thiolane-2-carboxylic acid
SMILESO=C(O)C1(CCCF)CCCS1
InChIInChI=1S/C8H13FO2S/c9-5-1-3-8(7(10)11)4-2-6-12-8/h1-6H2,(H,10,11)
InChIKeySAMBQFVXFCSIBB-UHFFFAOYSA-N
MW192.25 g/mol
LogP2.09
Rot. Bonds4

About 2-(3-fluoropropyl)thiolane-2-carboxylic acid

2-(3-fluoropropyl)thiolane-2-carboxylic acid (PubChem CID 83173771) has the molecular formula C8H13FO2S and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-(3-fluoropropyl)thiolane-2-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoropropyl)thiolane-2-carboxylic acid
PubChem CID83173771
Molecular FormulaC8H13FO2S
Molecular Weight192.25 g/mol
Exact Mass192.06
IUPAC Name2-(3-fluoropropyl)thiolane-2-carboxylic acid
SMILESO=C(O)C1(CCCF)CCCS1
InChIInChI=1S/C8H13FO2S/c9-5-1-3-8(7(10)11)4-2-6-12-8/h1-6H2,(H,10,11)
InChIKeySAMBQFVXFCSIBB-UHFFFAOYSA-N
XLogP2.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluoropropyl)thiolane-2-carboxylic 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-(3-fluoropropyl)thiolane-2-carboxylic acid?
The IUPAC name of 2-(3-fluoropropyl)thiolane-2-carboxylic acid (CID 83173771) is 2-(3-fluoropropyl)thiolane-2-carboxylic acid.
What is the SMILES notation for 2-(3-fluoropropyl)thiolane-2-carboxylic acid?
The canonical SMILES for 2-(3-fluoropropyl)thiolane-2-carboxylic acid is O=C(O)C1(CCCF)CCCS1.
What is the InChIKey of 2-(3-fluoropropyl)thiolane-2-carboxylic acid?
The InChIKey is SAMBQFVXFCSIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2S/c9-5-1-3-8(7(10)11)4-2-6-12-8/h1-6H2,(H,10,11).
What are the key properties of 2-(3-fluoropropyl)thiolane-2-carboxylic acid?
2-(3-fluoropropyl)thiolane-2-carboxylic acid has a molecular weight of 192.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropyl)thiolane-2-carboxylic acid is sourced from PubChem (CID 83173771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).