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

C19H27F6NOSi — CID 153305152

IUPAC[2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN1C
InChIInChI=1S/C19H27F6NOSi/c1-5-28(6-2,7-3)27-17(9-8-10-26(17)4)14-11-15(18(20,21)22)13-16(12-14)19(23,24)25/h11-13H,5-10H2,1-4H3
InChIKeyIOWBBSJJCFBVPM-UHFFFAOYSA-N
MW427.51 g/mol
LogP6.62
Rot. Bonds6

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

[2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-triethylsilane (PubChem CID 153305152) has the molecular formula C19H27F6NOSi and a molecular weight of 427.51 g/mol. Its IUPAC name is [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-triethylsilane
PubChem CID153305152
Molecular FormulaC19H27F6NOSi
Molecular Weight427.51 g/mol
Exact Mass427.18
IUPAC Name[2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN1C
InChIInChI=1S/C19H27F6NOSi/c1-5-28(6-2,7-3)27-17(9-8-10-26(17)4)14-11-15(18(20,21)22)13-16(12-14)19(23,24)25/h11-13H,5-10H2,1-4H3
InChIKeyIOWBBSJJCFBVPM-UHFFFAOYSA-N
XLogP6.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-triethylsilane?
The IUPAC name of [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-triethylsilane (CID 153305152) is [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-triethylsilane.
What is the SMILES notation for [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-triethylsilane?
The canonical SMILES for [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-triethylsilane is CC[Si](CC)(CC)OC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN1C.
What is the InChIKey of [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-triethylsilane?
The InChIKey is IOWBBSJJCFBVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F6NOSi/c1-5-28(6-2,7-3)27-17(9-8-10-26(17)4)14-11-15(18(20,21)22)13-16(12-14)19(23,24)25/h11-13H,5-10H2,1-4H3.
What are the key properties of [2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-triethylsilane?
[2-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrolidin-2-yl]oxy-triethylsilane has a molecular weight of 427.51 g/mol, XLogP of 6.62, 6 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-triethylsilane is sourced from PubChem (CID 153305152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).