[[3,5-bis(trifluoromethyl)phenyl]-phenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane

C22H25F6NOSi — CID 101493374

IUPAC[[3,5-bis(trifluoromethyl)phenyl]-phenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccccc1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCN1
InChIInChI=1S/C22H25F6NOSi/c1-31(2,3)30-20(19-10-7-11-29-19,15-8-5-4-6-9-15)16-12-17(21(23,24)25)14-18(13-16)22(26,27)28/h4-6,8-9,12-14,19,29H,7,10-11H2,1-3H3/t19-,20?/m0/s1
InChIKeyPEVWELRCHMZWFD-XJDOXCRVSA-N
MW461.52 g/mol
LogP6.57
Rot. Bonds5

About [[3,5-bis(trifluoromethyl)phenyl]-phenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane

[[3,5-bis(trifluoromethyl)phenyl]-phenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane (PubChem CID 101493374) has the molecular formula C22H25F6NOSi and a molecular weight of 461.52 g/mol. Its IUPAC name is [[3,5-bis(trifluoromethyl)phenyl]-phenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane.

Molecular Properties

Compound Name[[3,5-bis(trifluoromethyl)phenyl]-phenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
PubChem CID101493374
Molecular FormulaC22H25F6NOSi
Molecular Weight461.52 g/mol
Exact Mass461.16
IUPAC Name[[3,5-bis(trifluoromethyl)phenyl]-phenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccccc1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCN1
InChIInChI=1S/C22H25F6NOSi/c1-31(2,3)30-20(19-10-7-11-29-19,15-8-5-4-6-9-15)16-12-17(21(23,24)25)14-18(13-16)22(26,27)28/h4-6,8-9,12-14,19,29H,7,10-11H2,1-3H3/t19-,20?/m0/s1
InChIKeyPEVWELRCHMZWFD-XJDOXCRVSA-N
XLogP6.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [[3,5-bis(trifluoromethyl)phenyl]-phenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diphenylprolinol
CID 204386
2-Pyrrolidinemethanol, alpha,alpha-diphenyl-, (S)-
CID 2724899
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

Frequently Asked Questions

What is the IUPAC name of [[3,5-bis(trifluoromethyl)phenyl]-phenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane?
The IUPAC name of [[3,5-bis(trifluoromethyl)phenyl]-phenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane (CID 101493374) is [[3,5-bis(trifluoromethyl)phenyl]-phenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane.
What is the SMILES notation for [[3,5-bis(trifluoromethyl)phenyl]-phenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane?
The canonical SMILES for [[3,5-bis(trifluoromethyl)phenyl]-phenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane is C[Si](C)(C)OC(c1ccccc1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCN1.
What is the InChIKey of [[3,5-bis(trifluoromethyl)phenyl]-phenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane?
The InChIKey is PEVWELRCHMZWFD-XJDOXCRVSA-N. The full InChI is InChI=1S/C22H25F6NOSi/c1-31(2,3)30-20(19-10-7-11-29-19,15-8-5-4-6-9-15)16-12-17(21(23,24)25)14-18(13-16)22(26,27)28/h4-6,8-9,12-14,19,29H,7,10-11H2,1-3H3/t19-,20?/m0/s1.
What are the key properties of [[3,5-bis(trifluoromethyl)phenyl]-phenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane?
[[3,5-bis(trifluoromethyl)phenyl]-phenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane has a molecular weight of 461.52 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[3,5-bis(trifluoromethyl)phenyl]-phenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane is sourced from PubChem (CID 101493374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).