(2R)-2-fluoro-3-thiophen-3-ylpropanoic acid

C7H7FO2S — CID 46188443

IUPAC(2R)-2-fluoro-3-thiophen-3-ylpropanoic acid
SMILESO=C(O)[C@H](F)Cc1ccsc1
InChIInChI=1S/C7H7FO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3H2,(H,9,10)/t6-/m1/s1
InChIKeyLCQBMSGTUPNJNG-ZCFIWIBFSA-N
MW174.20 g/mol
LogP1.71
Rot. Bonds3

About (2R)-2-fluoro-3-thiophen-3-ylpropanoic acid

(2R)-2-fluoro-3-thiophen-3-ylpropanoic acid (PubChem CID 46188443) has the molecular formula C7H7FO2S and a molecular weight of 174.20 g/mol. Its IUPAC name is (2R)-2-fluoro-3-thiophen-3-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-fluoro-3-thiophen-3-ylpropanoic acid
PubChem CID46188443
Molecular FormulaC7H7FO2S
Molecular Weight174.20 g/mol
Exact Mass174.02
IUPAC Name(2R)-2-fluoro-3-thiophen-3-ylpropanoic acid
SMILESO=C(O)[C@H](F)Cc1ccsc1
InChIInChI=1S/C7H7FO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3H2,(H,9,10)/t6-/m1/s1
InChIKeyLCQBMSGTUPNJNG-ZCFIWIBFSA-N
XLogP1.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-3-thiophen-3-ylpropanoic acid?
The IUPAC name of (2R)-2-fluoro-3-thiophen-3-ylpropanoic acid (CID 46188443) is (2R)-2-fluoro-3-thiophen-3-ylpropanoic acid.
What is the SMILES notation for (2R)-2-fluoro-3-thiophen-3-ylpropanoic acid?
The canonical SMILES for (2R)-2-fluoro-3-thiophen-3-ylpropanoic acid is O=C(O)[C@H](F)Cc1ccsc1.
What is the InChIKey of (2R)-2-fluoro-3-thiophen-3-ylpropanoic acid?
The InChIKey is LCQBMSGTUPNJNG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H7FO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3H2,(H,9,10)/t6-/m1/s1.
What are the key properties of (2R)-2-fluoro-3-thiophen-3-ylpropanoic acid?
(2R)-2-fluoro-3-thiophen-3-ylpropanoic acid has a molecular weight of 174.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-3-thiophen-3-ylpropanoic acid is sourced from PubChem (CID 46188443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).