[bis[3-methyl-5-(trifluoromethyl)phenyl]-pyrrolidin-2-ylmethoxy]-trimethylsilane

C24H29F6NOSi — CID 159582739

IUPAC[bis[3-methyl-5-(trifluoromethyl)phenyl]-pyrrolidin-2-ylmethoxy]-trimethylsilane
SMILESCc1cc(C(F)(F)F)cc(C(O[Si](C)(C)C)(c2cc(C)cc(C(F)(F)F)c2)C2CCCN2)c1
InChIInChI=1S/C24H29F6NOSi/c1-15-9-17(13-19(11-15)23(25,26)27)22(32-33(3,4)5,21-7-6-8-31-21)18-10-16(2)12-20(14-18)24(28,29)30/h9-14,21,31H,6-8H2,1-5H3
InChIKeyMJFMILDRNJYGSG-UHFFFAOYSA-N
MW489.58 g/mol
LogP7.19
Rot. Bonds5

About [bis[3-methyl-5-(trifluoromethyl)phenyl]-pyrrolidin-2-ylmethoxy]-trimethylsilane

[bis[3-methyl-5-(trifluoromethyl)phenyl]-pyrrolidin-2-ylmethoxy]-trimethylsilane (PubChem CID 159582739) has the molecular formula C24H29F6NOSi and a molecular weight of 489.58 g/mol. Its IUPAC name is [bis[3-methyl-5-(trifluoromethyl)phenyl]-pyrrolidin-2-ylmethoxy]-trimethylsilane.

Molecular Properties

Compound Name[bis[3-methyl-5-(trifluoromethyl)phenyl]-pyrrolidin-2-ylmethoxy]-trimethylsilane
PubChem CID159582739
Molecular FormulaC24H29F6NOSi
Molecular Weight489.58 g/mol
Exact Mass489.19
IUPAC Name[bis[3-methyl-5-(trifluoromethyl)phenyl]-pyrrolidin-2-ylmethoxy]-trimethylsilane
SMILESCc1cc(C(F)(F)F)cc(C(O[Si](C)(C)C)(c2cc(C)cc(C(F)(F)F)c2)C2CCCN2)c1
InChIInChI=1S/C24H29F6NOSi/c1-15-9-17(13-19(11-15)23(25,26)27)22(32-33(3,4)5,21-7-6-8-31-21)18-10-16(2)12-20(14-18)24(28,29)30/h9-14,21,31H,6-8H2,1-5H3
InChIKeyMJFMILDRNJYGSG-UHFFFAOYSA-N
XLogP7.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 6544419
(S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether
CID 11198150
(2S)-2-(Bis(3,5-bis(trifluoromethyl)phenyl)((trimethylsilyl)oxy)methyl)pyrrolidine
CID 11284830
(S)-Bis(3,5-dimethylphenyl)(pyrrolidin-2-yl)methanol
CID 11616543
(S)-(t-Butyldimethylsiloxy)-diphenylmethyl)pyrrolidine
CID 12000489
(R)-(+)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether
CID 16218310
(R)-alpha,alpha-Bis(3,5-bis(trifluoromethyl)phenyl)-2-pyrrolidinemethanol trimethylsilyl ether
CID 16218311
(R)-Diphenylprolinol tert-butyldimethylsilyl ether
CID 71310995
(2S)-2-Pyrrolidinyl-bis(4-(perfluorooctyl)phenyl)methanol
CID 11434727
(2S)-2-{Bis[4-(heptadecafluorooctyl)phenyl][(trimethylsilyl)oxy]methyl}pyrrolidine
CID 11571705
(2S)-2-Pyrrolidinyl-bis(4-(perfluorohexyl)phenyl)methanol
CID 138395074
(2S)-2-{Bis[4-(heptadecafluorooctyl)phenyl][(triethylsilyl)oxy]methyl}pyrrolidine
CID 138396382

Frequently Asked Questions

What is the IUPAC name of [bis[3-methyl-5-(trifluoromethyl)phenyl]-pyrrolidin-2-ylmethoxy]-trimethylsilane?
The IUPAC name of [bis[3-methyl-5-(trifluoromethyl)phenyl]-pyrrolidin-2-ylmethoxy]-trimethylsilane (CID 159582739) is [bis[3-methyl-5-(trifluoromethyl)phenyl]-pyrrolidin-2-ylmethoxy]-trimethylsilane.
What is the SMILES notation for [bis[3-methyl-5-(trifluoromethyl)phenyl]-pyrrolidin-2-ylmethoxy]-trimethylsilane?
The canonical SMILES for [bis[3-methyl-5-(trifluoromethyl)phenyl]-pyrrolidin-2-ylmethoxy]-trimethylsilane is Cc1cc(C(F)(F)F)cc(C(O[Si](C)(C)C)(c2cc(C)cc(C(F)(F)F)c2)C2CCCN2)c1.
What is the InChIKey of [bis[3-methyl-5-(trifluoromethyl)phenyl]-pyrrolidin-2-ylmethoxy]-trimethylsilane?
The InChIKey is MJFMILDRNJYGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F6NOSi/c1-15-9-17(13-19(11-15)23(25,26)27)22(32-33(3,4)5,21-7-6-8-31-21)18-10-16(2)12-20(14-18)24(28,29)30/h9-14,21,31H,6-8H2,1-5H3.
What are the key properties of [bis[3-methyl-5-(trifluoromethyl)phenyl]-pyrrolidin-2-ylmethoxy]-trimethylsilane?
[bis[3-methyl-5-(trifluoromethyl)phenyl]-pyrrolidin-2-ylmethoxy]-trimethylsilane has a molecular weight of 489.58 g/mol, XLogP of 7.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bis[3-methyl-5-(trifluoromethyl)phenyl]-pyrrolidin-2-ylmethoxy]-trimethylsilane is sourced from PubChem (CID 159582739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).