(2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid

C11H9FO4 — CID 97034913

IUPAC(2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2)O1
InChIInChI=1S/C11H9FO4/c12-7-3-1-6(2-4-7)10-8(11(14)15)5-9(13)16-10/h1-4,8,10H,5H2,(H,14,15)/t8-,10+/m1/s1
InChIKeyXIOSWKZVTLVMIU-SCZZXKLOSA-N
MW224.19 g/mol
LogP1.51
Rot. Bonds2

About (2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid

(2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid (PubChem CID 97034913) has the molecular formula C11H9FO4 and a molecular weight of 224.19 g/mol. Its IUPAC name is (2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid
PubChem CID97034913
Molecular FormulaC11H9FO4
Molecular Weight224.19 g/mol
Exact Mass224.05
IUPAC Name(2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2)O1
InChIInChI=1S/C11H9FO4/c12-7-3-1-6(2-4-7)10-8(11(14)15)5-9(13)16-10/h1-4,8,10H,5H2,(H,14,15)/t8-,10+/m1/s1
InChIKeyXIOSWKZVTLVMIU-SCZZXKLOSA-N
XLogP1.51
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
CID 825874
4-acetyl-5-(4-fluorophenyl)oxolan-2-one
CID 3021196
(2R,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid
CID 97034925
(2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid
CID 97034924
2-(3-fluorophenyl)-5-oxooxolane-3-carboxylic acid
CID 102547443
2-(4-cyanophenyl)-5-oxooxolane-3-carboxylic acid
CID 151580211
5-oxo-2-(4-propan-2-ylphenyl)oxolane-3-carboxylic acid
CID 102547432
(4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one
CID 70259290
2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 102547393
(2R,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxooxolane-3-carboxylic acid
CID 95166968
(2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid
CID 97034636
(2R,3R)-5-oxo-2-phenyloxolane-3-carboxylic acid;1-phenylethanamine
CID 10131410

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid (CID 97034913) is (2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid is O=C1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2)O1.
What is the InChIKey of (2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid?
The InChIKey is XIOSWKZVTLVMIU-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H9FO4/c12-7-3-1-6(2-4-7)10-8(11(14)15)5-9(13)16-10/h1-4,8,10H,5H2,(H,14,15)/t8-,10+/m1/s1.
What are the key properties of (2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid?
(2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid has a molecular weight of 224.19 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid is sourced from PubChem (CID 97034913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).