(4S)-4-tert-butyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one

C12H18F3NO3 — CID 59706996

IUPAC(4S)-4-tert-butyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CC(=O)N1C(=O)OC[C@@H]1C(C)(C)C)C(F)(F)F
InChIInChI=1S/C12H18F3NO3/c1-7(12(13,14)15)5-9(17)16-8(11(2,3)4)6-19-10(16)18/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyZNOFSRMVJRWJSN-JGVFFNPUSA-N
MW281.27 g/mol
LogP2.97
Rot. Bonds2

About (4S)-4-tert-butyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one

(4S)-4-tert-butyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 59706996) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is (4S)-4-tert-butyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-tert-butyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID59706996
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name(4S)-4-tert-butyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CC(=O)N1C(=O)OC[C@@H]1C(C)(C)C)C(F)(F)F
InChIInChI=1S/C12H18F3NO3/c1-7(12(13,14)15)5-9(17)16-8(11(2,3)4)6-19-10(16)18/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyZNOFSRMVJRWJSN-JGVFFNPUSA-N
XLogP2.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-tert-butyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one (CID 59706996) is (4S)-4-tert-butyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-tert-butyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-tert-butyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one is C[C@@H](CC(=O)N1C(=O)OC[C@@H]1C(C)(C)C)C(F)(F)F.
What is the InChIKey of (4S)-4-tert-butyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is ZNOFSRMVJRWJSN-JGVFFNPUSA-N. The full InChI is InChI=1S/C12H18F3NO3/c1-7(12(13,14)15)5-9(17)16-8(11(2,3)4)6-19-10(16)18/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of (4S)-4-tert-butyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one?
(4S)-4-tert-butyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 281.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59706996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).