tert-butyl-[[3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane

C23H29F2NOSi — CID 58638077

IUPACtert-butyl-[[3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1(c2ccccc2)C=C(c2cc(F)ccc2F)CN1
InChIInChI=1S/C23H29F2NOSi/c1-22(2,3)28(4,5)27-16-23(18-9-7-6-8-10-18)14-17(15-26-23)20-13-19(24)11-12-21(20)25/h6-14,26H,15-16H2,1-5H3
InChIKeyCPIZTJNMDOPINP-UHFFFAOYSA-N
MW401.57 g/mol
LogP5.87
Rot. Bonds5

About tert-butyl-[[3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane

tert-butyl-[[3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane (PubChem CID 58638077) has the molecular formula C23H29F2NOSi and a molecular weight of 401.57 g/mol. Its IUPAC name is tert-butyl-[[3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane
PubChem CID58638077
Molecular FormulaC23H29F2NOSi
Molecular Weight401.57 g/mol
Exact Mass401.20
IUPAC Nametert-butyl-[[3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1(c2ccccc2)C=C(c2cc(F)ccc2F)CN1
InChIInChI=1S/C23H29F2NOSi/c1-22(2,3)28(4,5)27-16-23(18-9-7-6-8-10-18)14-17(15-26-23)20-13-19(24)11-12-21(20)25/h6-14,26H,15-16H2,1-5H3
InChIKeyCPIZTJNMDOPINP-UHFFFAOYSA-N
XLogP5.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.57
LogP ≤ 55.87
H-Bond Donors ≤ 51
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 tert-butyl-[[3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane (CID 58638077) is tert-butyl-[[3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1(c2ccccc2)C=C(c2cc(F)ccc2F)CN1.
What is the InChIKey of tert-butyl-[[3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane?
The InChIKey is CPIZTJNMDOPINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2NOSi/c1-22(2,3)28(4,5)27-16-23(18-9-7-6-8-10-18)14-17(15-26-23)20-13-19(24)11-12-21(20)25/h6-14,26H,15-16H2,1-5H3.
What are the key properties of tert-butyl-[[3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane?
tert-butyl-[[3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane has a molecular weight of 401.57 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 58638077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).