tert-butyl-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane

C17H28FNO2Si — CID 67470686

IUPACtert-butyl-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane
SMILESCOc1ccc(F)cc1[C@H]1CC(O[Si](C)(C)C(C)(C)C)CN1
InChIInChI=1S/C17H28FNO2Si/c1-17(2,3)22(5,6)21-13-10-15(19-11-13)14-9-12(18)7-8-16(14)20-4/h7-9,13,15,19H,10-11H2,1-6H3/t13?,15-/m1/s1
InChIKeyBCKITRXKOABEHA-AWKYBWMHSA-N
MW325.50 g/mol
LogP4.26
Rot. Bonds4

About tert-butyl-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane

tert-butyl-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane (PubChem CID 67470686) has the molecular formula C17H28FNO2Si and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane
PubChem CID67470686
Molecular FormulaC17H28FNO2Si
Molecular Weight325.50 g/mol
Exact Mass325.19
IUPAC Nametert-butyl-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane
SMILESCOc1ccc(F)cc1[C@H]1CC(O[Si](C)(C)C(C)(C)C)CN1
InChIInChI=1S/C17H28FNO2Si/c1-17(2,3)22(5,6)21-13-10-15(19-11-13)14-9-12(18)7-8-16(14)20-4/h7-9,13,15,19H,10-11H2,1-6H3/t13?,15-/m1/s1
InChIKeyBCKITRXKOABEHA-AWKYBWMHSA-N
XLogP4.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane (CID 67470686) is tert-butyl-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane is COc1ccc(F)cc1[C@H]1CC(O[Si](C)(C)C(C)(C)C)CN1.
What is the InChIKey of tert-butyl-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The InChIKey is BCKITRXKOABEHA-AWKYBWMHSA-N. The full InChI is InChI=1S/C17H28FNO2Si/c1-17(2,3)22(5,6)21-13-10-15(19-11-13)14-9-12(18)7-8-16(14)20-4/h7-9,13,15,19H,10-11H2,1-6H3/t13?,15-/m1/s1.
What are the key properties of tert-butyl-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
tert-butyl-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane has a molecular weight of 325.50 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5R)-5-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 67470686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).