2-(3-fluorothiolan-3-yl)propanoic acid

C7H11FO2S — CID 105437513

IUPAC2-(3-fluorothiolan-3-yl)propanoic acid
SMILESCC(C(=O)O)C1(F)CCSC1
InChIInChI=1S/C7H11FO2S/c1-5(6(9)10)7(8)2-3-11-4-7/h5H,2-4H2,1H3,(H,9,10)
InChIKeyYJGHKTOJXRLRHI-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.55
Rot. Bonds2

About 2-(3-fluorothiolan-3-yl)propanoic acid

2-(3-fluorothiolan-3-yl)propanoic acid (PubChem CID 105437513) has the molecular formula C7H11FO2S and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(3-fluorothiolan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-fluorothiolan-3-yl)propanoic acid
PubChem CID105437513
Molecular FormulaC7H11FO2S
Molecular Weight178.23 g/mol
Exact Mass178.05
IUPAC Name2-(3-fluorothiolan-3-yl)propanoic acid
SMILESCC(C(=O)O)C1(F)CCSC1
InChIInChI=1S/C7H11FO2S/c1-5(6(9)10)7(8)2-3-11-4-7/h5H,2-4H2,1H3,(H,9,10)
InChIKeyYJGHKTOJXRLRHI-UHFFFAOYSA-N
XLogP1.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluorothiolan-3-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Acetylsulfanyl)-4-methylpentanoic acid
CID 14505483
2-(4-Fluoropentylsulfanyl)-4-methylpentanoic acid
CID 87339766
4-Methyl-2-(3,3,3-trifluoropropylsulfanyl)pentanoic acid
CID 87340196
2-(5-Fluoropentylsulfanyl)-4-methylpentanoic acid
CID 87340541
2-(6-Fluorohexylsulfanyl)-4-methylpentanoic acid
CID 87341359
2-(4-Fluorohexylsulfanyl)-4-methylpentanoic acid
CID 87341406
2-(4-Fluorobutylsulfanyl)-4-methylpentanoic acid
CID 87341721
2-(3-Fluoropropylsulfanyl)-4-methylpentanoic acid
CID 87342297
2-(5-Fluorohexylsulfanyl)-4-methylpentanoic acid
CID 87342525
2-Ethylsulfanyl-5,5,5-trifluoro-4-methylpentanoic acid
CID 169993122
2-(Trifluoromethyl)thiolane-2-carboxylic acid
CID 177001668
2-Fluoro-2-(thian-4-yl)acetic acid
CID 81358493

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorothiolan-3-yl)propanoic acid?
The IUPAC name of 2-(3-fluorothiolan-3-yl)propanoic acid (CID 105437513) is 2-(3-fluorothiolan-3-yl)propanoic acid.
What is the SMILES notation for 2-(3-fluorothiolan-3-yl)propanoic acid?
The canonical SMILES for 2-(3-fluorothiolan-3-yl)propanoic acid is CC(C(=O)O)C1(F)CCSC1.
What is the InChIKey of 2-(3-fluorothiolan-3-yl)propanoic acid?
The InChIKey is YJGHKTOJXRLRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2S/c1-5(6(9)10)7(8)2-3-11-4-7/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-(3-fluorothiolan-3-yl)propanoic acid?
2-(3-fluorothiolan-3-yl)propanoic acid has a molecular weight of 178.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorothiolan-3-yl)propanoic acid is sourced from PubChem (CID 105437513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).