[2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-trimethylsilane

C16H21F6NOSi — CID 153305153

IUPAC[2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-trimethylsilane
SMILESCN1CCCC1(O[Si](C)(C)C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H21F6NOSi/c1-23-7-5-6-14(23,24-25(2,3)4)11-8-12(15(17,18)19)10-13(9-11)16(20,21)22/h8-10H,5-7H2,1-4H3
InChIKeyIIMOVLYFMCDJEE-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.45
Rot. Bonds3

About [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-trimethylsilane

[2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-trimethylsilane (PubChem CID 153305153) has the molecular formula C16H21F6NOSi and a molecular weight of 385.42 g/mol. Its IUPAC name is [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-trimethylsilane
PubChem CID153305153
Molecular FormulaC16H21F6NOSi
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name[2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-trimethylsilane
SMILESCN1CCCC1(O[Si](C)(C)C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H21F6NOSi/c1-23-7-5-6-14(23,24-25(2,3)4)11-8-12(15(17,18)19)10-13(9-11)16(20,21)22/h8-10H,5-7H2,1-4H3
InChIKeyIIMOVLYFMCDJEE-UHFFFAOYSA-N
XLogP5.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.45
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 [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-trimethylsilane?
The IUPAC name of [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-trimethylsilane (CID 153305153) is [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-trimethylsilane?
The canonical SMILES for [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-trimethylsilane is CN1CCCC1(O[Si](C)(C)C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-trimethylsilane?
The InChIKey is IIMOVLYFMCDJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F6NOSi/c1-23-7-5-6-14(23,24-25(2,3)4)11-8-12(15(17,18)19)10-13(9-11)16(20,21)22/h8-10H,5-7H2,1-4H3.
What are the key properties of [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-trimethylsilane?
[2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-trimethylsilane has a molecular weight of 385.42 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 153305153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).