tert-butyl 2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate

C23H36FNO4Si — CID 68948474

IUPACtert-butyl 2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate
SMILESCC(C)[Si](OC1C(=O)N(C(=O)OC(C)(C)C)C1c1ccccc1F)(C(C)C)C(C)C
InChIInChI=1S/C23H36FNO4Si/c1-14(2)30(15(3)4,16(5)6)29-20-19(17-12-10-11-13-18(17)24)25(21(20)26)22(27)28-23(7,8)9/h10-16,19-20H,1-9H3
InChIKeyZTBVHRYNMXCQKF-UHFFFAOYSA-N
MW437.63 g/mol
LogP6.20
Rot. Bonds6

About tert-butyl 2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate

tert-butyl 2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate (PubChem CID 68948474) has the molecular formula C23H36FNO4Si and a molecular weight of 437.63 g/mol. Its IUPAC name is tert-butyl 2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate
PubChem CID68948474
Molecular FormulaC23H36FNO4Si
Molecular Weight437.63 g/mol
Exact Mass437.24
IUPAC Nametert-butyl 2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate
SMILESCC(C)[Si](OC1C(=O)N(C(=O)OC(C)(C)C)C1c1ccccc1F)(C(C)C)C(C)C
InChIInChI=1S/C23H36FNO4Si/c1-14(2)30(15(3)4,16(5)6)29-20-19(17-12-10-11-13-18(17)24)25(21(20)26)22(27)28-23(7,8)9/h10-16,19-20H,1-9H3
InChIKeyZTBVHRYNMXCQKF-UHFFFAOYSA-N
XLogP6.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tert-butyl 2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate (CID 68948474) is tert-butyl 2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate is CC(C)[Si](OC1C(=O)N(C(=O)OC(C)(C)C)C1c1ccccc1F)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl 2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate?
The InChIKey is ZTBVHRYNMXCQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36FNO4Si/c1-14(2)30(15(3)4,16(5)6)29-20-19(17-12-10-11-13-18(17)24)25(21(20)26)22(27)28-23(7,8)9/h10-16,19-20H,1-9H3.
What are the key properties of tert-butyl 2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate?
tert-butyl 2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate has a molecular weight of 437.63 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-fluorophenyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidine-1-carboxylate is sourced from PubChem (CID 68948474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).