fluoro-dimethyl-(2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl)silane

C17H28FNSi — CID 10357070

IUPACfluoro-dimethyl-(2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl)silane
SMILESCC(C(C)N1CCCC1)C(c1ccccc1)[Si](C)(C)F
InChIInChI=1S/C17H28FNSi/c1-14(15(2)19-12-8-9-13-19)17(20(3,4)18)16-10-6-5-7-11-16/h5-7,10-11,14-15,17H,8-9,12-13H2,1-4H3
InChIKeyCJIXBHGENGYJMT-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.60
Rot. Bonds5

About fluoro-dimethyl-(2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl)silane

fluoro-dimethyl-(2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl)silane (PubChem CID 10357070) has the molecular formula C17H28FNSi and a molecular weight of 293.50 g/mol. Its IUPAC name is fluoro-dimethyl-(2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl)silane.

Molecular Properties

Compound Namefluoro-dimethyl-(2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl)silane
PubChem CID10357070
Molecular FormulaC17H28FNSi
Molecular Weight293.50 g/mol
Exact Mass293.20
IUPAC Namefluoro-dimethyl-(2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl)silane
SMILESCC(C(C)N1CCCC1)C(c1ccccc1)[Si](C)(C)F
InChIInChI=1S/C17H28FNSi/c1-14(15(2)19-12-8-9-13-19)17(20(3,4)18)16-10-6-5-7-11-16/h5-7,10-11,14-15,17H,8-9,12-13H2,1-4H3
InChIKeyCJIXBHGENGYJMT-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro-dimethyl-(2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl)silane?
The IUPAC name of fluoro-dimethyl-(2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl)silane (CID 10357070) is fluoro-dimethyl-(2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl)silane.
What is the SMILES notation for fluoro-dimethyl-(2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl)silane?
The canonical SMILES for fluoro-dimethyl-(2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl)silane is CC(C(C)N1CCCC1)C(c1ccccc1)[Si](C)(C)F.
What is the InChIKey of fluoro-dimethyl-(2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl)silane?
The InChIKey is CJIXBHGENGYJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNSi/c1-14(15(2)19-12-8-9-13-19)17(20(3,4)18)16-10-6-5-7-11-16/h5-7,10-11,14-15,17H,8-9,12-13H2,1-4H3.
What are the key properties of fluoro-dimethyl-(2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl)silane?
fluoro-dimethyl-(2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl)silane has a molecular weight of 293.50 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-dimethyl-(2-methyl-1-phenyl-3-pyrrolidin-1-ylbutyl)silane is sourced from PubChem (CID 10357070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).