tert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane

C20H26FNOSi — CID 140882011

IUPACtert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1CNC[C@@H]1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26FNOSi/c1-20(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-19-15-22-14-18(19)21/h4-13,18-19,22H,14-15H2,1-3H3/t18-,19-/m0/s1
InChIKeyMJDHPDBAVGLUCZ-OALUTQOASA-N
MW343.52 g/mol
LogP2.87
Rot. Bonds4

About tert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane

tert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane (PubChem CID 140882011) has the molecular formula C20H26FNOSi and a molecular weight of 343.52 g/mol. Its IUPAC name is tert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane
PubChem CID140882011
Molecular FormulaC20H26FNOSi
Molecular Weight343.52 g/mol
Exact Mass343.18
IUPAC Nametert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1CNC[C@@H]1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26FNOSi/c1-20(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-19-15-22-14-18(19)21/h4-13,18-19,22H,14-15H2,1-3H3/t18-,19-/m0/s1
InChIKeyMJDHPDBAVGLUCZ-OALUTQOASA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.87
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 tert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane (CID 140882011) is tert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane is CC(C)(C)[Si](O[C@H]1CNC[C@@H]1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane?
The InChIKey is MJDHPDBAVGLUCZ-OALUTQOASA-N. The full InChI is InChI=1S/C20H26FNOSi/c1-20(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-19-15-22-14-18(19)21/h4-13,18-19,22H,14-15H2,1-3H3/t18-,19-/m0/s1.
What are the key properties of tert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane?
tert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane has a molecular weight of 343.52 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 140882011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).