2,2-dimethylpropyl-[(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane

C17H28FNOSi — CID 141292504

IUPAC2,2-dimethylpropyl-[(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)C[Si](C)(C)O[C@H]1CN[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C17H28FNOSi/c1-17(2,3)12-21(4,5)20-15-10-16(19-11-15)13-7-6-8-14(18)9-13/h6-9,15-16,19H,10-12H2,1-5H3/t15-,16-/m1/s1
InChIKeyFCVLMPHIZVKASA-HZPDHXFCSA-N
MW309.50 g/mol
LogP4.50
Rot. Bonds4

About 2,2-dimethylpropyl-[(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane

2,2-dimethylpropyl-[(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane (PubChem CID 141292504) has the molecular formula C17H28FNOSi and a molecular weight of 309.50 g/mol. Its IUPAC name is 2,2-dimethylpropyl-[(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Name2,2-dimethylpropyl-[(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
PubChem CID141292504
Molecular FormulaC17H28FNOSi
Molecular Weight309.50 g/mol
Exact Mass309.19
IUPAC Name2,2-dimethylpropyl-[(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)C[Si](C)(C)O[C@H]1CN[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C17H28FNOSi/c1-17(2,3)12-21(4,5)20-15-10-16(19-11-15)13-7-6-8-14(18)9-13/h6-9,15-16,19H,10-12H2,1-5H3/t15-,16-/m1/s1
InChIKeyFCVLMPHIZVKASA-HZPDHXFCSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dimethylpropyl-[(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane 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-(3-Fluorophenyl)pyrrolidin-3-ol hydrochloride
CID 91662985
5-(3,4-Difluorophenyl)pyrrolidin-3-ol
CID 64157226
5-(4-Fluorophenyl)pyrrolidin-3-ol hydrochloride
CID 71757334
5-(3,4-Difluorophenyl)pyrrolidin-3-ol hydrochloride
CID 71757468
(S)-2-((tert-Butyldimethylsilyl)oxy)-N-((R)-1-(4-fluorophenyl)ethyl)penta-1,4-dien-3-amine
CID 134813839
[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 135010273
5-(2,5-Difluorophenyl)pyrrolidin-3-ol
CID 64160096
n-(2,4-Difluorophenylmethyl)-n-[dimethyl(t-butyldimethylsiloxymethyl)methyl]amine
CID 21255688
3-(r)-t-Butyldimethylsilyloxymethyl-4-(s)-(3-fluorophenyl)pyrrolidine
CID 21341071
Tert-butyl-[[4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane
CID 21912700
2-(3-Fluorophenyl)-4-methoxy-1-propan-2-ylpyrrolidine
CID 58334510
2-({[tert-Butyl(dimethyl)silyl]oxy}methyl)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrole
CID 58638077

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl-[(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The IUPAC name of 2,2-dimethylpropyl-[(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane (CID 141292504) is 2,2-dimethylpropyl-[(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane.
What is the SMILES notation for 2,2-dimethylpropyl-[(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The canonical SMILES for 2,2-dimethylpropyl-[(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane is CC(C)(C)C[Si](C)(C)O[C@H]1CN[C@@H](c2cccc(F)c2)C1.
What is the InChIKey of 2,2-dimethylpropyl-[(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The InChIKey is FCVLMPHIZVKASA-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H28FNOSi/c1-17(2,3)12-21(4,5)20-15-10-16(19-11-15)13-7-6-8-14(18)9-13/h6-9,15-16,19H,10-12H2,1-5H3/t15-,16-/m1/s1.
What are the key properties of 2,2-dimethylpropyl-[(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
2,2-dimethylpropyl-[(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane has a molecular weight of 309.50 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl-[(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 141292504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).