tert-butyl-[2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane

C19H28ClF2NOSi — CID 142588514

About tert-butyl-[2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane

tert-butyl-[2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane (PubChem CID 142588514) has the molecular formula C19H28ClF2NOSi and a molecular weight of 387.97 g/mol. Its IUPAC name is tert-butyl-[2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
• PubChem CID: 142588514
• Molecular Formula: C19H28ClF2NOSi
• Molecular Weight: 387.97 g/mol
• Exact Mass: 387.16
• IUPAC Name: tert-butyl-[2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
• SMILES: CC(C)(O[Si](C)(C)C(C)(C)C)[C@H]1CCC(c2cc(F)c(F)cc2Cl)=N1
• InChI: InChI=1S/C19H28ClF2NOSi/c1-18(2,3)25(6,7)24-19(4,5)17-9-8-16(23-17)12-10-14(21)15(22)11-13(12)20/h10-11,17H,8-9H2,1-7H3/t17-/m1/s1
• InChIKey: ZBECWNXPLXZVBW-QGZVFWFLSA-N
• XLogP: 6.37
• TPSA: 21.59 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.97
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane?

The IUPAC name of tert-butyl-[2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane (CID 142588514) is tert-butyl-[2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane is CC(C)(O[Si](C)(C)C(C)(C)C)[C@H]1CCC(c2cc(F)c(F)cc2Cl)=N1.

What is the InChIKey of tert-butyl-[2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane?

The InChIKey is ZBECWNXPLXZVBW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28ClF2NOSi/c1-18(2,3)25(6,7)24-19(4,5)17-9-8-16(23-17)12-10-14(21)15(22)11-13(12)20/h10-11,17H,8-9H2,1-7H3/t17-/m1/s1.

What are the key properties of tert-butyl-[2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane?

tert-butyl-[2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane has a molecular weight of 387.97 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-[(2R)-5-(2-chloro-4,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane is sourced from PubChem (CID 142588514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).