benzyl-[2-[4-[ditert-butyl(fluoro)silyl]phenyl]acetyl]azanium

C23H33FNOSi+ — CID 143652388

IUPACbenzyl-[2-[4-[ditert-butyl(fluoro)silyl]phenyl]acetyl]azanium
SMILESCC(C)(C)[Si](F)(c1ccc(CC(=O)[NH2+]Cc2ccccc2)cc1)C(C)(C)C
InChIInChI=1S/C23H32FNOSi/c1-22(2,3)27(24,23(4,5)6)20-14-12-18(13-15-20)16-21(26)25-17-19-10-8-7-9-11-19/h7-15H,16-17H2,1-6H3,(H,25,26)/p+1
InChIKeyRNPNGRPMWVFYFS-UHFFFAOYSA-O
MW386.61 g/mol
LogP4.24
Rot. Bonds5

About benzyl-[2-[4-[ditert-butyl(fluoro)silyl]phenyl]acetyl]azanium

benzyl-[2-[4-[ditert-butyl(fluoro)silyl]phenyl]acetyl]azanium (PubChem CID 143652388) has the molecular formula C23H33FNOSi+ and a molecular weight of 386.61 g/mol. Its IUPAC name is benzyl-[2-[4-[ditert-butyl(fluoro)silyl]phenyl]acetyl]azanium.

Molecular Properties

Compound Namebenzyl-[2-[4-[ditert-butyl(fluoro)silyl]phenyl]acetyl]azanium
PubChem CID143652388
Molecular FormulaC23H33FNOSi+
Molecular Weight386.61 g/mol
Exact Mass386.23
IUPAC Namebenzyl-[2-[4-[ditert-butyl(fluoro)silyl]phenyl]acetyl]azanium
SMILESCC(C)(C)[Si](F)(c1ccc(CC(=O)[NH2+]Cc2ccccc2)cc1)C(C)(C)C
InChIInChI=1S/C23H32FNOSi/c1-22(2,3)27(24,23(4,5)6)20-14-12-18(13-15-20)16-21(26)25-17-19-10-8-7-9-11-19/h7-15H,16-17H2,1-6H3,(H,25,26)/p+1
InChIKeyRNPNGRPMWVFYFS-UHFFFAOYSA-O
XLogP4.24
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 54.24
H-Bond Donors ≤ 51
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 benzyl-[2-[4-[ditert-butyl(fluoro)silyl]phenyl]acetyl]azanium?
The IUPAC name of benzyl-[2-[4-[ditert-butyl(fluoro)silyl]phenyl]acetyl]azanium (CID 143652388) is benzyl-[2-[4-[ditert-butyl(fluoro)silyl]phenyl]acetyl]azanium.
What is the SMILES notation for benzyl-[2-[4-[ditert-butyl(fluoro)silyl]phenyl]acetyl]azanium?
The canonical SMILES for benzyl-[2-[4-[ditert-butyl(fluoro)silyl]phenyl]acetyl]azanium is CC(C)(C)[Si](F)(c1ccc(CC(=O)[NH2+]Cc2ccccc2)cc1)C(C)(C)C.
What is the InChIKey of benzyl-[2-[4-[ditert-butyl(fluoro)silyl]phenyl]acetyl]azanium?
The InChIKey is RNPNGRPMWVFYFS-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H32FNOSi/c1-22(2,3)27(24,23(4,5)6)20-14-12-18(13-15-20)16-21(26)25-17-19-10-8-7-9-11-19/h7-15H,16-17H2,1-6H3,(H,25,26)/p+1.
What are the key properties of benzyl-[2-[4-[ditert-butyl(fluoro)silyl]phenyl]acetyl]azanium?
benzyl-[2-[4-[ditert-butyl(fluoro)silyl]phenyl]acetyl]azanium has a molecular weight of 386.61 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-[4-[ditert-butyl(fluoro)silyl]phenyl]acetyl]azanium is sourced from PubChem (CID 143652388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).