(5S)-3-(2,2,2-trifluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one

C25H22F3NO3 — CID 59735315

IUPAC(5S)-3-(2,2,2-trifluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1CC(F)(F)F
InChIInChI=1S/C25H22F3NO3/c26-24(27,28)18-29-16-22(32-23(29)30)17-31-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2/t22-/m0/s1
InChIKeyYFIFQVOKDGACQT-QFIPXVFZSA-N
MW441.45 g/mol
LogP5.38
Rot. Bonds7

About (5S)-3-(2,2,2-trifluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one

(5S)-3-(2,2,2-trifluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 59735315) has the molecular formula C25H22F3NO3 and a molecular weight of 441.45 g/mol. Its IUPAC name is (5S)-3-(2,2,2-trifluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-(2,2,2-trifluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one
PubChem CID59735315
Molecular FormulaC25H22F3NO3
Molecular Weight441.45 g/mol
Exact Mass441.16
IUPAC Name(5S)-3-(2,2,2-trifluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1CC(F)(F)F
InChIInChI=1S/C25H22F3NO3/c26-24(27,28)18-29-16-22(32-23(29)30)17-31-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2/t22-/m0/s1
InChIKeyYFIFQVOKDGACQT-QFIPXVFZSA-N
XLogP5.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 55.38
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 (5S)-3-(2,2,2-trifluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-(2,2,2-trifluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one (CID 59735315) is (5S)-3-(2,2,2-trifluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-(2,2,2-trifluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-(2,2,2-trifluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one is O=C1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1CC(F)(F)F.
What is the InChIKey of (5S)-3-(2,2,2-trifluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is YFIFQVOKDGACQT-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H22F3NO3/c26-24(27,28)18-29-16-22(32-23(29)30)17-31-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2/t22-/m0/s1.
What are the key properties of (5S)-3-(2,2,2-trifluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one?
(5S)-3-(2,2,2-trifluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 441.45 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2,2,2-trifluoroethyl)-5-(trityloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 59735315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).