tert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)carbamate

C15H20F3NO3Si — CID 168856657

IUPACtert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1c(F)c(F)c([Si](C)(C)C)c(F)c1C=O
InChIInChI=1S/C15H20F3NO3Si/c1-15(2,3)22-14(21)19-12-8(7-20)9(16)13(23(4,5)6)11(18)10(12)17/h7H,1-6H3,(H,19,21)
InChIKeyPGQMQVSFGUOBFC-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.81
Rot. Bonds3

About tert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)carbamate

tert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)carbamate (PubChem CID 168856657) has the molecular formula C15H20F3NO3Si and a molecular weight of 347.41 g/mol. Its IUPAC name is tert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)carbamate
PubChem CID168856657
Molecular FormulaC15H20F3NO3Si
Molecular Weight347.41 g/mol
Exact Mass347.12
IUPAC Nametert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1c(F)c(F)c([Si](C)(C)C)c(F)c1C=O
InChIInChI=1S/C15H20F3NO3Si/c1-15(2,3)22-14(21)19-12-8(7-20)9(16)13(23(4,5)6)11(18)10(12)17/h7H,1-6H3,(H,19,21)
InChIKeyPGQMQVSFGUOBFC-UHFFFAOYSA-N
XLogP3.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)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

tert-butyl N-(3,6-difluoro-2-formylphenyl)carbamate
CID 118996744
tert-butyl N-(2,6-difluoro-4-formylphenyl)carbamate
CID 84805526
tert-butyl N-(2-carbamoyl-3,4,5,6-tetrafluorophenyl)carbamate
CID 58895114
tert-butyl N-(2-fluoro-4-formyl-3,6-dimethylphenyl)carbamate
CID 84808075
tert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate
CID 84807209
tert-butyl N-(2-fluoro-3-formyl-4-methoxyphenyl)carbamate
CID 84808640
tert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate
CID 84812678
tert-butyl N-(5-fluoro-3-formyl-2-hydroxy-4-methylphenyl)carbamate
CID 84808638
tert-butyl N-(2-formyl-3-hydroxy-5-methylphenyl)carbamate
CID 84804043
tert-butyl N-(2,4,6-trifluoro-3-methylphenyl)carbamate
CID 138750883
tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate
CID 142536295
tert-butyl N-(3-fluoro-5-formyl-2,4-dihydroxyphenyl)carbamate
CID 84809356

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)carbamate (CID 168856657) is tert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)carbamate is CC(C)(C)OC(=O)Nc1c(F)c(F)c([Si](C)(C)C)c(F)c1C=O.
What is the InChIKey of tert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)carbamate?
The InChIKey is PGQMQVSFGUOBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3Si/c1-15(2,3)22-14(21)19-12-8(7-20)9(16)13(23(4,5)6)11(18)10(12)17/h7H,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)carbamate?
tert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)carbamate has a molecular weight of 347.41 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3,5-trifluoro-6-formyl-4-trimethylsilylphenyl)carbamate is sourced from PubChem (CID 168856657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).