(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one

C21H23FO3Si — CID 13009255

IUPAC(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one
SMILESCC(C)(C)[Si](OC[C@H]1C=C(F)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23FO3Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-15-16-14-19(22)20(23)25-16/h4-14,16H,15H2,1-3H3/t16-/m1/s1
InChIKeySEUZBEQSAMGKOO-MRXNPFEDSA-N
MW370.50 g/mol
LogP3.34
Rot. Bonds5

About (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one

(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one (PubChem CID 13009255) has the molecular formula C21H23FO3Si and a molecular weight of 370.50 g/mol. Its IUPAC name is (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one
PubChem CID13009255
Molecular FormulaC21H23FO3Si
Molecular Weight370.50 g/mol
Exact Mass370.14
IUPAC Name(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one
SMILESCC(C)(C)[Si](OC[C@H]1C=C(F)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23FO3Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-15-16-14-19(22)20(23)25-16/h4-14,16H,15H2,1-3H3/t16-/m1/s1
InChIKeySEUZBEQSAMGKOO-MRXNPFEDSA-N
XLogP3.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one?
The IUPAC name of (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one (CID 13009255) is (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one?
The canonical SMILES for (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one is CC(C)(C)[Si](OC[C@H]1C=C(F)C(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one?
The InChIKey is SEUZBEQSAMGKOO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23FO3Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-15-16-14-19(22)20(23)25-16/h4-14,16H,15H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one?
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one has a molecular weight of 370.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one is sourced from PubChem (CID 13009255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).