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

C5H7FO3S — CID 130824390

IUPAC2-fluoro-2-(3-hydroxythietan-3-yl)acetic acid
SMILESO=C(O)C(F)C1(O)CSC1
InChIInChI=1S/C5H7FO3S/c6-3(4(7)8)5(9)1-10-2-5/h3,9H,1-2H2,(H,7,8)
InChIKeyJUTJBRVJDPASGE-UHFFFAOYSA-N
MW166.17 g/mol
LogP-0.11
Rot. Bonds2

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

2-fluoro-2-(3-hydroxythietan-3-yl)acetic acid (PubChem CID 130824390) has the molecular formula C5H7FO3S and a molecular weight of 166.17 g/mol. Its IUPAC name is 2-fluoro-2-(3-hydroxythietan-3-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(3-hydroxythietan-3-yl)acetic acid
PubChem CID130824390
Molecular FormulaC5H7FO3S
Molecular Weight166.17 g/mol
Exact Mass166.01
IUPAC Name2-fluoro-2-(3-hydroxythietan-3-yl)acetic acid
SMILESO=C(O)C(F)C1(O)CSC1
InChIInChI=1S/C5H7FO3S/c6-3(4(7)8)5(9)1-10-2-5/h3,9H,1-2H2,(H,7,8)
InChIKeyJUTJBRVJDPASGE-UHFFFAOYSA-N
XLogP-0.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-hydroxythietan-3-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(3-hydroxythietan-3-yl)acetic acid (CID 130824390) is 2-fluoro-2-(3-hydroxythietan-3-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(3-hydroxythietan-3-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(3-hydroxythietan-3-yl)acetic acid is O=C(O)C(F)C1(O)CSC1.
What is the InChIKey of 2-fluoro-2-(3-hydroxythietan-3-yl)acetic acid?
The InChIKey is JUTJBRVJDPASGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO3S/c6-3(4(7)8)5(9)1-10-2-5/h3,9H,1-2H2,(H,7,8).
What are the key properties of 2-fluoro-2-(3-hydroxythietan-3-yl)acetic acid?
2-fluoro-2-(3-hydroxythietan-3-yl)acetic acid has a molecular weight of 166.17 g/mol, XLogP of -0.11, 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-hydroxythietan-3-yl)acetic acid is sourced from PubChem (CID 130824390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).