2-(3-fluoropropylsulfinyl)acetic acid

C5H9FO3S — CID 81114147

IUPAC2-(3-fluoropropylsulfinyl)acetic acid
SMILESO=C(O)CS(=O)CCCF
InChIInChI=1S/C5H9FO3S/c6-2-1-3-10(9)4-5(7)8/h1-4H2,(H,7,8)
InChIKeyHBUYUUZAWKNLJL-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.18
Rot. Bonds5

About 2-(3-fluoropropylsulfinyl)acetic acid

2-(3-fluoropropylsulfinyl)acetic acid (PubChem CID 81114147) has the molecular formula C5H9FO3S and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfinyl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoropropylsulfinyl)acetic acid
PubChem CID81114147
Molecular FormulaC5H9FO3S
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Name2-(3-fluoropropylsulfinyl)acetic acid
SMILESO=C(O)CS(=O)CCCF
InChIInChI=1S/C5H9FO3S/c6-2-1-3-10(9)4-5(7)8/h1-4H2,(H,7,8)
InChIKeyHBUYUUZAWKNLJL-UHFFFAOYSA-N
XLogP0.18
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylsulfinyl)acetic acid?
The IUPAC name of 2-(3-fluoropropylsulfinyl)acetic acid (CID 81114147) is 2-(3-fluoropropylsulfinyl)acetic acid.
What is the SMILES notation for 2-(3-fluoropropylsulfinyl)acetic acid?
The canonical SMILES for 2-(3-fluoropropylsulfinyl)acetic acid is O=C(O)CS(=O)CCCF.
What is the InChIKey of 2-(3-fluoropropylsulfinyl)acetic acid?
The InChIKey is HBUYUUZAWKNLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3S/c6-2-1-3-10(9)4-5(7)8/h1-4H2,(H,7,8).
What are the key properties of 2-(3-fluoropropylsulfinyl)acetic acid?
2-(3-fluoropropylsulfinyl)acetic acid has a molecular weight of 168.19 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfinyl)acetic acid is sourced from PubChem (CID 81114147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).