(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid

C9H9FO4 — CID 23644579

IUPAC(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)[C@@H](O)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C9H9FO4/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,11-12H,(H,13,14)/t7-,8-/m0/s1
InChIKeyDWYLYIVEFVSGCP-YUMQZZPRSA-N
MW200.16 g/mol
LogP0.30
Rot. Bonds3

About (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid

(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid (PubChem CID 23644579) has the molecular formula C9H9FO4 and a molecular weight of 200.16 g/mol. Its IUPAC name is (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid
PubChem CID23644579
Molecular FormulaC9H9FO4
Molecular Weight200.16 g/mol
Exact Mass200.05
IUPAC Name(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)[C@@H](O)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C9H9FO4/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,11-12H,(H,13,14)/t7-,8-/m0/s1
InChIKeyDWYLYIVEFVSGCP-YUMQZZPRSA-N
XLogP0.30
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid (CID 23644579) is (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid is O=C(O)[C@@H](O)[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid?
The InChIKey is DWYLYIVEFVSGCP-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H9FO4/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,11-12H,(H,13,14)/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid?
(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid has a molecular weight of 200.16 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 23644579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).