(4,4-difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-trimethylsilane

C13H17F2NSi — CID 11747154

IUPAC(4,4-difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-trimethylsilane
SMILESC[Si](C)(C)C1CC(F)(F)C(c2ccccc2)=N1
InChIInChI=1S/C13H17F2NSi/c1-17(2,3)11-9-13(14,15)12(16-11)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyHRUKVNSLLWDFCX-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.76
Rot. Bonds2

About (4,4-difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-trimethylsilane

(4,4-difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-trimethylsilane (PubChem CID 11747154) has the molecular formula C13H17F2NSi and a molecular weight of 253.37 g/mol. Its IUPAC name is (4,4-difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(4,4-difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-trimethylsilane
PubChem CID11747154
Molecular FormulaC13H17F2NSi
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(4,4-difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-trimethylsilane
SMILESC[Si](C)(C)C1CC(F)(F)C(c2ccccc2)=N1
InChIInChI=1S/C13H17F2NSi/c1-17(2,3)11-9-13(14,15)12(16-11)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyHRUKVNSLLWDFCX-UHFFFAOYSA-N
XLogP3.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4,4-difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-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

5-phenyl-3,4-dihydro-2H-pyrrole
CID 261893
5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58335726
5-(4-Fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 11147900
(E)-2,2,2-trifluoro-1-phenyl-N-trimethylsilylethanimine
CID 58611152
5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
CID 102142893
(2S)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
CID 135081127
5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 12009049
Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)-
CID 580046
2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine
CID 12869998
N-tert-butyl-1-(4-fluoro-2-triethylsilylphenyl)methanimine
CID 85906585
N-butyl-2-fluoro-1-phenylethanimine
CID 101419521
2,2-difluoro-1-phenyl-N-propan-2-ylethanimine
CID 101419528

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-trimethylsilane?
The IUPAC name of (4,4-difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-trimethylsilane (CID 11747154) is (4,4-difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-trimethylsilane.
What is the SMILES notation for (4,4-difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-trimethylsilane?
The canonical SMILES for (4,4-difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-trimethylsilane is C[Si](C)(C)C1CC(F)(F)C(c2ccccc2)=N1.
What is the InChIKey of (4,4-difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-trimethylsilane?
The InChIKey is HRUKVNSLLWDFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NSi/c1-17(2,3)11-9-13(14,15)12(16-11)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3.
What are the key properties of (4,4-difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-trimethylsilane?
(4,4-difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-trimethylsilane has a molecular weight of 253.37 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-5-phenyl-2,3-dihydropyrrol-2-yl)-trimethylsilane is sourced from PubChem (CID 11747154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).