[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane

C21H36FNOSi — CID 23630783

IUPAC[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1C[C@@H](CF)N(Cc2ccccc2)C1)(C(C)C)C(C)C
InChIInChI=1S/C21H36FNOSi/c1-16(2)25(17(3)4,18(5)6)24-21-12-20(13-22)23(15-21)14-19-10-8-7-9-11-19/h7-11,16-18,20-21H,12-15H2,1-6H3/t20-,21+/m0/s1
InChIKeyUMWKGSNJUREVNS-LEWJYISDSA-N
MW365.61 g/mol
LogP5.79
Rot. Bonds8

About [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane

[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 23630783) has the molecular formula C21H36FNOSi and a molecular weight of 365.61 g/mol. Its IUPAC name is [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID23630783
Molecular FormulaC21H36FNOSi
Molecular Weight365.61 g/mol
Exact Mass365.26
IUPAC Name[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1C[C@@H](CF)N(Cc2ccccc2)C1)(C(C)C)C(C)C
InChIInChI=1S/C21H36FNOSi/c1-16(2)25(17(3)4,18(5)6)24-21-12-20(13-22)23(15-21)14-19-10-8-7-9-11-19/h7-11,16-18,20-21H,12-15H2,1-6H3/t20-,21+/m0/s1
InChIKeyUMWKGSNJUREVNS-LEWJYISDSA-N
XLogP5.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.61
LogP ≤ 55.79
H-Bond Donors ≤ 50
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 [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane (CID 23630783) is [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@@H]1C[C@@H](CF)N(Cc2ccccc2)C1)(C(C)C)C(C)C.
What is the InChIKey of [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is UMWKGSNJUREVNS-LEWJYISDSA-N. The full InChI is InChI=1S/C21H36FNOSi/c1-16(2)25(17(3)4,18(5)6)24-21-12-20(13-22)23(15-21)14-19-10-8-7-9-11-19/h7-11,16-18,20-21H,12-15H2,1-6H3/t20-,21+/m0/s1.
What are the key properties of [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 365.61 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 23630783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).