(2S)-4-fluoro-2-(trityloxymethyl)-2H-furan-5-one

C24H19FO3 — CID 11280261

IUPAC(2S)-4-fluoro-2-(trityloxymethyl)-2H-furan-5-one
SMILESO=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1F
InChIInChI=1S/C24H19FO3/c25-22-16-21(28-23(22)26)17-27-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16,21H,17H2/t21-/m0/s1
InChIKeyQMPUVYYHQMOTSZ-NRFANRHFSA-N
MW374.41 g/mol
LogP4.77
Rot. Bonds6

About (2S)-4-fluoro-2-(trityloxymethyl)-2H-furan-5-one

(2S)-4-fluoro-2-(trityloxymethyl)-2H-furan-5-one (PubChem CID 11280261) has the molecular formula C24H19FO3 and a molecular weight of 374.41 g/mol. Its IUPAC name is (2S)-4-fluoro-2-(trityloxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-fluoro-2-(trityloxymethyl)-2H-furan-5-one
PubChem CID11280261
Molecular FormulaC24H19FO3
Molecular Weight374.41 g/mol
Exact Mass374.13
IUPAC Name(2S)-4-fluoro-2-(trityloxymethyl)-2H-furan-5-one
SMILESO=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1F
InChIInChI=1S/C24H19FO3/c25-22-16-21(28-23(22)26)17-27-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16,21H,17H2/t21-/m0/s1
InChIKeyQMPUVYYHQMOTSZ-NRFANRHFSA-N
XLogP4.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-fluoro-2-(trityloxymethyl)-2H-furan-5-one?
The IUPAC name of (2S)-4-fluoro-2-(trityloxymethyl)-2H-furan-5-one (CID 11280261) is (2S)-4-fluoro-2-(trityloxymethyl)-2H-furan-5-one.
What is the SMILES notation for (2S)-4-fluoro-2-(trityloxymethyl)-2H-furan-5-one?
The canonical SMILES for (2S)-4-fluoro-2-(trityloxymethyl)-2H-furan-5-one is O=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1F.
What is the InChIKey of (2S)-4-fluoro-2-(trityloxymethyl)-2H-furan-5-one?
The InChIKey is QMPUVYYHQMOTSZ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H19FO3/c25-22-16-21(28-23(22)26)17-27-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16,21H,17H2/t21-/m0/s1.
What are the key properties of (2S)-4-fluoro-2-(trityloxymethyl)-2H-furan-5-one?
(2S)-4-fluoro-2-(trityloxymethyl)-2H-furan-5-one has a molecular weight of 374.41 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-fluoro-2-(trityloxymethyl)-2H-furan-5-one is sourced from PubChem (CID 11280261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).