(4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one

C13H12F3NO3 — CID 11616218

IUPAC(4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CC(F)(F)F)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)7-11(18)17-10(8-20-12(17)19)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeyKFIWIDUWRJLVPB-JTQLQIEISA-N
MW287.24 g/mol
LogP2.53
Rot. Bonds3

About (4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one (PubChem CID 11616218) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one
PubChem CID11616218
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Name(4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CC(F)(F)F)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)7-11(18)17-10(8-20-12(17)19)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeyKFIWIDUWRJLVPB-JTQLQIEISA-N
XLogP2.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one (CID 11616218) is (4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one is O=C(CC(F)(F)F)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is KFIWIDUWRJLVPB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H12F3NO3/c14-13(15,16)7-11(18)17-10(8-20-12(17)19)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 287.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11616218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).