[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane

C18H30FNOSi — CID 135010273

IUPAC[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CF)N(Cc2ccccc2)C1
InChIInChI=1S/C18H30FNOSi/c1-18(2,3)22(4,5)21-17-11-16(12-19)20(14-17)13-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3/t16-,17+/m0/s1
InChIKeySCUYCLNBFABQSX-DLBZAZTESA-N
MW323.53 g/mol
LogP4.62
Rot. Bonds5

About [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane

[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 135010273) has the molecular formula C18H30FNOSi and a molecular weight of 323.53 g/mol. Its IUPAC name is [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID135010273
Molecular FormulaC18H30FNOSi
Molecular Weight323.53 g/mol
Exact Mass323.21
IUPAC Name[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CF)N(Cc2ccccc2)C1
InChIInChI=1S/C18H30FNOSi/c1-18(2,3)22(4,5)21-17-11-16(12-19)20(14-17)13-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3/t16-,17+/m0/s1
InChIKeySCUYCLNBFABQSX-DLBZAZTESA-N
XLogP4.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S)-1-benzyl-3-(trifluoromethyl)aziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 102014998
(2S,4R)-1-benzyl-2-hydroxymethyl-4-(t-butyldimethylsilyloxy)pyrrolidine
CID 11099295
2-(Trifluoromethyl)-3-benzyl-5-[3-(triisopropylsilyl)-2-propynyl]oxazolidine
CID 122219644
3-[(2R,4R,5R)-3-benzyl-4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane
CID 134952000
[(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 135010175
(2S,4R)-1-benzyl-2-(fluoromethyl)-4-methoxypyrrolidine
CID 135010272
[(2S,3R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]aziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 23243952
[(2S,3R)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 102014995
[(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 134924653
(3S,4S)-1-Benzyl-4-[(tert-butyldimethylsilyl)oxy]pyrrolidin-3-ol
CID 10542787
[(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10891631
(3R,4S)-1-benzyl-3-azido-4-(tert-butyldimethylsilyloxy)pyrrolidine
CID 10903712

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane (CID 135010273) is [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CF)N(Cc2ccccc2)C1.
What is the InChIKey of [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is SCUYCLNBFABQSX-DLBZAZTESA-N. The full InChI is InChI=1S/C18H30FNOSi/c1-18(2,3)22(4,5)21-17-11-16(12-19)20(14-17)13-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3/t16-,17+/m0/s1.
What are the key properties of [(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 323.53 g/mol, XLogP of 4.62, 5 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-tert-butyl-dimethylsilane is sourced from PubChem (CID 135010273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).