(4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one

C8H9F6NO2 — CID 11817943

IUPAC(4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
SMILESCC(C)[C@@H]1NC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C8H9F6NO2/c1-3(2)4-5(16)17-6(15-4,7(9,10)11)8(12,13)14/h3-4,15H,1-2H3/t4-/m0/s1
InChIKeyYEXNTQKZSIWFLG-BYPYZUCNSA-N
MW265.15 g/mol
LogP1.98
Rot. Bonds1

About (4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one

(4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one (PubChem CID 11817943) has the molecular formula C8H9F6NO2 and a molecular weight of 265.15 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
PubChem CID11817943
Molecular FormulaC8H9F6NO2
Molecular Weight265.15 g/mol
Exact Mass265.05
IUPAC Name(4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
SMILESCC(C)[C@@H]1NC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C8H9F6NO2/c1-3(2)4-5(16)17-6(15-4,7(9,10)11)8(12,13)14/h3-4,15H,1-2H3/t4-/m0/s1
InChIKeyYEXNTQKZSIWFLG-BYPYZUCNSA-N
XLogP1.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The IUPAC name of (4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one (CID 11817943) is (4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one.
What is the SMILES notation for (4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The canonical SMILES for (4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one is CC(C)[C@@H]1NC(C(F)(F)F)(C(F)(F)F)OC1=O.
What is the InChIKey of (4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The InChIKey is YEXNTQKZSIWFLG-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H9F6NO2/c1-3(2)4-5(16)17-6(15-4,7(9,10)11)8(12,13)14/h3-4,15H,1-2H3/t4-/m0/s1.
What are the key properties of (4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
(4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one has a molecular weight of 265.15 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one is sourced from PubChem (CID 11817943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).