tert-butyl-dimethyl-[[(3R,4S)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]silane

C18H28F3NOSi — CID 68913831

IUPACtert-butyl-dimethyl-[[(3R,4S)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CNC[C@@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H28F3NOSi/c1-17(2,3)24(4,5)23-12-14-10-22-11-16(14)13-7-6-8-15(9-13)18(19,20)21/h6-9,14,16,22H,10-12H2,1-5H3/t14-,16-/m1/s1
InChIKeyOBSFNFULSRUITF-GDBMZVCRSA-N
MW359.51 g/mol
LogP5.03
Rot. Bonds4

About tert-butyl-dimethyl-[[(3R,4S)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]silane

tert-butyl-dimethyl-[[(3R,4S)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]silane (PubChem CID 68913831) has the molecular formula C18H28F3NOSi and a molecular weight of 359.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(3R,4S)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(3R,4S)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]silane
PubChem CID68913831
Molecular FormulaC18H28F3NOSi
Molecular Weight359.51 g/mol
Exact Mass359.19
IUPAC Nametert-butyl-dimethyl-[[(3R,4S)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CNC[C@@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H28F3NOSi/c1-17(2,3)24(4,5)23-12-14-10-22-11-16(14)13-7-6-8-15(9-13)18(19,20)21/h6-9,14,16,22H,10-12H2,1-5H3/t14-,16-/m1/s1
InChIKeyOBSFNFULSRUITF-GDBMZVCRSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.03
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-dimethyl-[[(3R,4S)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(3R,4S)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]silane (CID 68913831) is tert-butyl-dimethyl-[[(3R,4S)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(3R,4S)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(3R,4S)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@H]1CNC[C@@H]1c1cccc(C(F)(F)F)c1.
What is the InChIKey of tert-butyl-dimethyl-[[(3R,4S)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]silane?
The InChIKey is OBSFNFULSRUITF-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H28F3NOSi/c1-17(2,3)24(4,5)23-12-14-10-22-11-16(14)13-7-6-8-15(9-13)18(19,20)21/h6-9,14,16,22H,10-12H2,1-5H3/t14-,16-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(3R,4S)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]silane?
tert-butyl-dimethyl-[[(3R,4S)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]silane has a molecular weight of 359.51 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(3R,4S)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]silane is sourced from PubChem (CID 68913831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).