tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane

C28H32FNOSi — CID 175438594

IUPACtert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane
SMILESCN1CC(c2ccc(F)cc2)=C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H32FNOSi/c1-28(2,3)32(26-11-7-5-8-12-26,27-13-9-6-10-14-27)31-21-25-19-23(20-30(25)4)22-15-17-24(29)18-16-22/h5-19,25H,20-21H2,1-4H3/t25-/m0/s1
InChIKeyRZRXNWBGKSXHOP-VWLOTQADSA-N
MW445.65 g/mol
LogP5.10
Rot. Bonds6

About tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane (PubChem CID 175438594) has the molecular formula C28H32FNOSi and a molecular weight of 445.65 g/mol. Its IUPAC name is tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane
PubChem CID175438594
Molecular FormulaC28H32FNOSi
Molecular Weight445.65 g/mol
Exact Mass445.22
IUPAC Nametert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane
SMILESCN1CC(c2ccc(F)cc2)=C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H32FNOSi/c1-28(2,3)32(26-11-7-5-8-12-26,27-13-9-6-10-14-27)31-21-25-19-23(20-30(25)4)22-15-17-24(29)18-16-22/h5-19,25H,20-21H2,1-4H3/t25-/m0/s1
InChIKeyRZRXNWBGKSXHOP-VWLOTQADSA-N
XLogP5.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.65
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane (CID 175438594) is tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane is CN1CC(c2ccc(F)cc2)=C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane?
The InChIKey is RZRXNWBGKSXHOP-VWLOTQADSA-N. The full InChI is InChI=1S/C28H32FNOSi/c1-28(2,3)32(26-11-7-5-8-12-26,27-13-9-6-10-14-27)31-21-25-19-23(20-30(25)4)22-15-17-24(29)18-16-22/h5-19,25H,20-21H2,1-4H3/t25-/m0/s1.
What are the key properties of tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane has a molecular weight of 445.65 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 175438594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).