2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate

C11H15BrF3NO3Si — CID 162690300

IUPAC2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate
SMILESC[Si](C)(C)CCOC(=O)Nc1oc(C(F)(F)F)cc1Br
InChIInChI=1S/C11H15BrF3NO3Si/c1-20(2,3)5-4-18-10(17)16-9-7(12)6-8(19-9)11(13,14)15/h6H,4-5H2,1-3H3,(H,16,17)
InChIKeyXMRNAPJTYMALOM-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.95
Rot. Bonds4

About 2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate

2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate (PubChem CID 162690300) has the molecular formula C11H15BrF3NO3Si and a molecular weight of 374.23 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate
PubChem CID162690300
Molecular FormulaC11H15BrF3NO3Si
Molecular Weight374.23 g/mol
Exact Mass373.00
IUPAC Name2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate
SMILESC[Si](C)(C)CCOC(=O)Nc1oc(C(F)(F)F)cc1Br
InChIInChI=1S/C11H15BrF3NO3Si/c1-20(2,3)5-4-18-10(17)16-9-7(12)6-8(19-9)11(13,14)15/h6H,4-5H2,1-3H3,(H,16,17)
InChIKeyXMRNAPJTYMALOM-UHFFFAOYSA-N
XLogP4.95
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate 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

Ethyl (5-(trifluoromethyl)furan-2-yl)carbamate
CID 71370060
butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate
CID 153638828
cyclohexa-1,3-dien-1-ylmethyl N-[3-bromo-4,5-bis(ethenyl)furan-2-yl]carbamate;ethane
CID 144534260

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate?
The IUPAC name of 2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate (CID 162690300) is 2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate is C[Si](C)(C)CCOC(=O)Nc1oc(C(F)(F)F)cc1Br.
What is the InChIKey of 2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate?
The InChIKey is XMRNAPJTYMALOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3NO3Si/c1-20(2,3)5-4-18-10(17)16-9-7(12)6-8(19-9)11(13,14)15/h6H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate?
2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate has a molecular weight of 374.23 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[3-bromo-5-(trifluoromethyl)furan-2-yl]carbamate is sourced from PubChem (CID 162690300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).