[bis[3,5-bis(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethoxy]-trimethylsilane

C24H23F12NOSi — CID 88531106

IUPAC[bis[3,5-bis(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC1
InChIInChI=1S/C24H23F12NOSi/c1-39(2,3)38-20(37-6-4-5-7-37,14-8-16(21(25,26)27)12-17(9-14)22(28,29)30)15-10-18(23(31,32)33)13-19(11-15)24(34,35)36/h8-13H,4-7H2,1-3H3
InChIKeyMBFZQTJMKZLHCG-UHFFFAOYSA-N
MW597.52 g/mol
LogP8.91
Rot. Bonds5

About [bis[3,5-bis(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethoxy]-trimethylsilane

[bis[3,5-bis(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethoxy]-trimethylsilane (PubChem CID 88531106) has the molecular formula C24H23F12NOSi and a molecular weight of 597.52 g/mol. Its IUPAC name is [bis[3,5-bis(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethoxy]-trimethylsilane.

Molecular Properties

Compound Name[bis[3,5-bis(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethoxy]-trimethylsilane
PubChem CID88531106
Molecular FormulaC24H23F12NOSi
Molecular Weight597.52 g/mol
Exact Mass597.14
IUPAC Name[bis[3,5-bis(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC1
InChIInChI=1S/C24H23F12NOSi/c1-39(2,3)38-20(37-6-4-5-7-37,14-8-16(21(25,26)27)12-17(9-14)22(28,29)30)15-10-18(23(31,32)33)13-19(11-15)24(34,35)36/h8-13H,4-7H2,1-3H3
InChIKeyMBFZQTJMKZLHCG-UHFFFAOYSA-N
XLogP8.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.52
LogP ≤ 58.91
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 [bis[3,5-bis(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethoxy]-trimethylsilane?
The IUPAC name of [bis[3,5-bis(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethoxy]-trimethylsilane (CID 88531106) is [bis[3,5-bis(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethoxy]-trimethylsilane.
What is the SMILES notation for [bis[3,5-bis(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethoxy]-trimethylsilane?
The canonical SMILES for [bis[3,5-bis(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethoxy]-trimethylsilane is C[Si](C)(C)OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC1.
What is the InChIKey of [bis[3,5-bis(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethoxy]-trimethylsilane?
The InChIKey is MBFZQTJMKZLHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F12NOSi/c1-39(2,3)38-20(37-6-4-5-7-37,14-8-16(21(25,26)27)12-17(9-14)22(28,29)30)15-10-18(23(31,32)33)13-19(11-15)24(34,35)36/h8-13H,4-7H2,1-3H3.
What are the key properties of [bis[3,5-bis(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethoxy]-trimethylsilane?
[bis[3,5-bis(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethoxy]-trimethylsilane has a molecular weight of 597.52 g/mol, XLogP of 8.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bis[3,5-bis(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethoxy]-trimethylsilane is sourced from PubChem (CID 88531106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).