phenyl N-[3-[(4-fluorophenyl)-dimethylsilyl]propyl]carbamate

C18H22FNO2Si — CID 134114451

IUPACphenyl N-[3-[(4-fluorophenyl)-dimethylsilyl]propyl]carbamate
SMILESC[Si](C)(CCCNC(=O)Oc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO2Si/c1-23(2,17-11-9-15(19)10-12-17)14-6-13-20-18(21)22-16-7-4-3-5-8-16/h3-5,7-12H,6,13-14H2,1-2H3,(H,20,21)
InChIKeyODIGHBMYNAYBLI-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.92
Rot. Bonds6

About phenyl N-[3-[(4-fluorophenyl)-dimethylsilyl]propyl]carbamate

phenyl N-[3-[(4-fluorophenyl)-dimethylsilyl]propyl]carbamate (PubChem CID 134114451) has the molecular formula C18H22FNO2Si and a molecular weight of 331.46 g/mol. Its IUPAC name is phenyl N-[3-[(4-fluorophenyl)-dimethylsilyl]propyl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-[(4-fluorophenyl)-dimethylsilyl]propyl]carbamate
PubChem CID134114451
Molecular FormulaC18H22FNO2Si
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC Namephenyl N-[3-[(4-fluorophenyl)-dimethylsilyl]propyl]carbamate
SMILESC[Si](C)(CCCNC(=O)Oc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO2Si/c1-23(2,17-11-9-15(19)10-12-17)14-6-13-20-18(21)22-16-7-4-3-5-8-16/h3-5,7-12H,6,13-14H2,1-2H3,(H,20,21)
InChIKeyODIGHBMYNAYBLI-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-[(4-fluorophenyl)-dimethylsilyl]propyl]carbamate?
The IUPAC name of phenyl N-[3-[(4-fluorophenyl)-dimethylsilyl]propyl]carbamate (CID 134114451) is phenyl N-[3-[(4-fluorophenyl)-dimethylsilyl]propyl]carbamate.
What is the SMILES notation for phenyl N-[3-[(4-fluorophenyl)-dimethylsilyl]propyl]carbamate?
The canonical SMILES for phenyl N-[3-[(4-fluorophenyl)-dimethylsilyl]propyl]carbamate is C[Si](C)(CCCNC(=O)Oc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of phenyl N-[3-[(4-fluorophenyl)-dimethylsilyl]propyl]carbamate?
The InChIKey is ODIGHBMYNAYBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2Si/c1-23(2,17-11-9-15(19)10-12-17)14-6-13-20-18(21)22-16-7-4-3-5-8-16/h3-5,7-12H,6,13-14H2,1-2H3,(H,20,21).
What are the key properties of phenyl N-[3-[(4-fluorophenyl)-dimethylsilyl]propyl]carbamate?
phenyl N-[3-[(4-fluorophenyl)-dimethylsilyl]propyl]carbamate has a molecular weight of 331.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-[(4-fluorophenyl)-dimethylsilyl]propyl]carbamate is sourced from PubChem (CID 134114451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).