(3S,4S)-4-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]azetidin-2-one

C15H24F3NO4Si — CID 177499801

IUPAC(3S,4S)-4-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]azetidin-2-one
SMILESCO[C@H]1CCC[C@H]([C@@H]2NC(=O)[C@@H]2[C@H](O[Si](C)(C)C)C(F)(F)F)C1=O
InChIInChI=1S/C15H24F3NO4Si/c1-22-9-7-5-6-8(12(9)20)11-10(14(21)19-11)13(15(16,17)18)23-24(2,3)4/h8-11,13H,5-7H2,1-4H3,(H,19,21)/t8-,9+,10+,11+,13+/m1/s1
InChIKeyRWIBERNCNCZNOC-XPCJQDJLSA-N
MW367.44 g/mol
LogP2.27
Rot. Bonds5

About (3S,4S)-4-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]azetidin-2-one

(3S,4S)-4-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]azetidin-2-one (PubChem CID 177499801) has the molecular formula C15H24F3NO4Si and a molecular weight of 367.44 g/mol. Its IUPAC name is (3S,4S)-4-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]azetidin-2-one
PubChem CID177499801
Molecular FormulaC15H24F3NO4Si
Molecular Weight367.44 g/mol
Exact Mass367.14
IUPAC Name(3S,4S)-4-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]azetidin-2-one
SMILESCO[C@H]1CCC[C@H]([C@@H]2NC(=O)[C@@H]2[C@H](O[Si](C)(C)C)C(F)(F)F)C1=O
InChIInChI=1S/C15H24F3NO4Si/c1-22-9-7-5-6-8(12(9)20)11-10(14(21)19-11)13(15(16,17)18)23-24(2,3)4/h8-11,13H,5-7H2,1-4H3,(H,19,21)/t8-,9+,10+,11+,13+/m1/s1
InChIKeyRWIBERNCNCZNOC-XPCJQDJLSA-N
XLogP2.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S,4S)-4-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]azetidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]azetidin-2-one?
The IUPAC name of (3S,4S)-4-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]azetidin-2-one (CID 177499801) is (3S,4S)-4-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]azetidin-2-one.
What is the SMILES notation for (3S,4S)-4-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]azetidin-2-one?
The canonical SMILES for (3S,4S)-4-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]azetidin-2-one is CO[C@H]1CCC[C@H]([C@@H]2NC(=O)[C@@H]2[C@H](O[Si](C)(C)C)C(F)(F)F)C1=O.
What is the InChIKey of (3S,4S)-4-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]azetidin-2-one?
The InChIKey is RWIBERNCNCZNOC-XPCJQDJLSA-N. The full InChI is InChI=1S/C15H24F3NO4Si/c1-22-9-7-5-6-8(12(9)20)11-10(14(21)19-11)13(15(16,17)18)23-24(2,3)4/h8-11,13H,5-7H2,1-4H3,(H,19,21)/t8-,9+,10+,11+,13+/m1/s1.
What are the key properties of (3S,4S)-4-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]azetidin-2-one?
(3S,4S)-4-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]azetidin-2-one has a molecular weight of 367.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]azetidin-2-one is sourced from PubChem (CID 177499801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).