2-fluoro-2-methyl-3-(thiolan-3-yl)propanoic acid

C8H13FO2S — CID 105446124

IUPAC2-fluoro-2-methyl-3-(thiolan-3-yl)propanoic acid
SMILESCC(F)(CC1CCSC1)C(=O)O
InChIInChI=1S/C8H13FO2S/c1-8(9,7(10)11)4-6-2-3-12-5-6/h6H,2-5H2,1H3,(H,10,11)
InChIKeyTZHXXWDNZDHSGM-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.94
Rot. Bonds3

About 2-fluoro-2-methyl-3-(thiolan-3-yl)propanoic acid

2-fluoro-2-methyl-3-(thiolan-3-yl)propanoic acid (PubChem CID 105446124) has the molecular formula C8H13FO2S and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-fluoro-2-methyl-3-(thiolan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-fluoro-2-methyl-3-(thiolan-3-yl)propanoic acid
PubChem CID105446124
Molecular FormulaC8H13FO2S
Molecular Weight192.25 g/mol
Exact Mass192.06
IUPAC Name2-fluoro-2-methyl-3-(thiolan-3-yl)propanoic acid
SMILESCC(F)(CC1CCSC1)C(=O)O
InChIInChI=1S/C8H13FO2S/c1-8(9,7(10)11)4-6-2-3-12-5-6/h6H,2-5H2,1H3,(H,10,11)
InChIKeyTZHXXWDNZDHSGM-UHFFFAOYSA-N
XLogP1.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-2-(thiolan-2-ylmethyl)propanoic Acid
CID 2734843
2-(4-Fluoropentylsulfanyl)-4-methylpentanoic acid
CID 87339766
2-(6-Fluoroheptylsulfanyl)-4-methylpentanoic acid
CID 87340186
2-(4-Fluoroheptylsulfanyl)-4-methylpentanoic acid
CID 87340519
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-(7-Fluoroheptylsulfanyl)-4-methylpentanoic acid
CID 87342140
2-(5-Fluoroheptylsulfanyl)-4-methylpentanoic acid
CID 87342178
2-(3-Fluoropropylsulfanyl)-4-methylpentanoic acid
CID 87342297
2-(5-Fluorohexylsulfanyl)-4-methylpentanoic acid
CID 87342525

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-3-(thiolan-3-yl)propanoic acid?
The IUPAC name of 2-fluoro-2-methyl-3-(thiolan-3-yl)propanoic acid (CID 105446124) is 2-fluoro-2-methyl-3-(thiolan-3-yl)propanoic acid.
What is the SMILES notation for 2-fluoro-2-methyl-3-(thiolan-3-yl)propanoic acid?
The canonical SMILES for 2-fluoro-2-methyl-3-(thiolan-3-yl)propanoic acid is CC(F)(CC1CCSC1)C(=O)O.
What is the InChIKey of 2-fluoro-2-methyl-3-(thiolan-3-yl)propanoic acid?
The InChIKey is TZHXXWDNZDHSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2S/c1-8(9,7(10)11)4-6-2-3-12-5-6/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-fluoro-2-methyl-3-(thiolan-3-yl)propanoic acid?
2-fluoro-2-methyl-3-(thiolan-3-yl)propanoic acid has a molecular weight of 192.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-3-(thiolan-3-yl)propanoic acid is sourced from PubChem (CID 105446124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).