2-trimethylsilylethyl N-(3-fluorophenyl)carbamate

C12H18FNO2Si — CID 68758194

IUPAC2-trimethylsilylethyl N-(3-fluorophenyl)carbamate
SMILESC[Si](C)(C)CCOC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H18FNO2Si/c1-17(2,3)8-7-16-12(15)14-11-6-4-5-10(13)9-11/h4-6,9H,7-8H2,1-3H3,(H,14,15)
InChIKeySLNQAUXSQIJTER-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.71
Rot. Bonds4

About 2-trimethylsilylethyl N-(3-fluorophenyl)carbamate

2-trimethylsilylethyl N-(3-fluorophenyl)carbamate (PubChem CID 68758194) has the molecular formula C12H18FNO2Si and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-(3-fluorophenyl)carbamate
PubChem CID68758194
Molecular FormulaC12H18FNO2Si
Molecular Weight255.37 g/mol
Exact Mass255.11
IUPAC Name2-trimethylsilylethyl N-(3-fluorophenyl)carbamate
SMILESC[Si](C)(C)CCOC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H18FNO2Si/c1-17(2,3)8-7-16-12(15)14-11-6-4-5-10(13)9-11/h4-6,9H,7-8H2,1-3H3,(H,14,15)
InChIKeySLNQAUXSQIJTER-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)ethyl N-(3-fluorophenyl)carbamate
CID 79338015
3-chloropropyl N-(3-fluorophenyl)carbamate
CID 103970573
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
2-azidoethyl N-(3-fluorophenyl)carbamate
CID 59667440
2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate
CID 47077792
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate
CID 4524913
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943203
N-ethyl-N'-(3-fluorophenyl)propanediamide
CID 67472700
(4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate
CID 134125017
6-N-(3-fluorophenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095785

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-(3-fluorophenyl)carbamate?
The IUPAC name of 2-trimethylsilylethyl N-(3-fluorophenyl)carbamate (CID 68758194) is 2-trimethylsilylethyl N-(3-fluorophenyl)carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-(3-fluorophenyl)carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-(3-fluorophenyl)carbamate is C[Si](C)(C)CCOC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-trimethylsilylethyl N-(3-fluorophenyl)carbamate?
The InChIKey is SLNQAUXSQIJTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2Si/c1-17(2,3)8-7-16-12(15)14-11-6-4-5-10(13)9-11/h4-6,9H,7-8H2,1-3H3,(H,14,15).
What are the key properties of 2-trimethylsilylethyl N-(3-fluorophenyl)carbamate?
2-trimethylsilylethyl N-(3-fluorophenyl)carbamate has a molecular weight of 255.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 68758194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).