(3S,4R)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one

C18H28FNO2Si — CID 68947267

IUPAC(3S,4R)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](O[C@@H]1C(=O)N[C@@H]1c1ccccc1F)(C(C)C)C(C)C
InChIInChI=1S/C18H28FNO2Si/c1-11(2)23(12(3)4,13(5)6)22-17-16(20-18(17)21)14-9-7-8-10-15(14)19/h7-13,16-17H,1-6H3,(H,20,21)/t16-,17+/m1/s1
InChIKeyNTVGSPUBSGZTJY-SJORKVTESA-N
MW337.51 g/mol
LogP4.56
Rot. Bonds6

About (3S,4R)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one

(3S,4R)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (PubChem CID 68947267) has the molecular formula C18H28FNO2Si and a molecular weight of 337.51 g/mol. Its IUPAC name is (3S,4R)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
PubChem CID68947267
Molecular FormulaC18H28FNO2Si
Molecular Weight337.51 g/mol
Exact Mass337.19
IUPAC Name(3S,4R)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](O[C@@H]1C(=O)N[C@@H]1c1ccccc1F)(C(C)C)C(C)C
InChIInChI=1S/C18H28FNO2Si/c1-11(2)23(12(3)4,13(5)6)22-17-16(20-18(17)21)14-9-7-8-10-15(14)19/h7-13,16-17H,1-6H3,(H,20,21)/t16-,17+/m1/s1
InChIKeyNTVGSPUBSGZTJY-SJORKVTESA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The IUPAC name of (3S,4R)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (CID 68947267) is (3S,4R)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.
What is the SMILES notation for (3S,4R)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The canonical SMILES for (3S,4R)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one is CC(C)[Si](O[C@@H]1C(=O)N[C@@H]1c1ccccc1F)(C(C)C)C(C)C.
What is the InChIKey of (3S,4R)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The InChIKey is NTVGSPUBSGZTJY-SJORKVTESA-N. The full InChI is InChI=1S/C18H28FNO2Si/c1-11(2)23(12(3)4,13(5)6)22-17-16(20-18(17)21)14-9-7-8-10-15(14)19/h7-13,16-17H,1-6H3,(H,20,21)/t16-,17+/m1/s1.
What are the key properties of (3S,4R)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
(3S,4R)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one has a molecular weight of 337.51 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(2-fluorophenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one is sourced from PubChem (CID 68947267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).