ethyl 8-fluoro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylate

C16H18F4O3Si — CID 141319909

IUPACethyl 8-fluoro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylate
SMILESCCOC(=O)C1=Cc2cc([Si](C)(C)C)cc(F)c2OC1C(F)(F)F
InChIInChI=1S/C16H18F4O3Si/c1-5-22-15(21)11-7-9-6-10(24(2,3)4)8-12(17)13(9)23-14(11)16(18,19)20/h6-8,14H,5H2,1-4H3
InChIKeyVNAJMSNYOJJWFI-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.64
Rot. Bonds3

About ethyl 8-fluoro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylate

ethyl 8-fluoro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylate (PubChem CID 141319909) has the molecular formula C16H18F4O3Si and a molecular weight of 362.40 g/mol. Its IUPAC name is ethyl 8-fluoro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-fluoro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylate
PubChem CID141319909
Molecular FormulaC16H18F4O3Si
Molecular Weight362.40 g/mol
Exact Mass362.10
IUPAC Nameethyl 8-fluoro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylate
SMILESCCOC(=O)C1=Cc2cc([Si](C)(C)C)cc(F)c2OC1C(F)(F)F
InChIInChI=1S/C16H18F4O3Si/c1-5-22-15(21)11-7-9-6-10(24(2,3)4)8-12(17)13(9)23-14(11)16(18,19)20/h6-8,14H,5H2,1-4H3
InChIKeyVNAJMSNYOJJWFI-UHFFFAOYSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-8-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 138563884
ethyl 6-methyl-8-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 86599573
ethyl 6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 15458898
ethyl 8-(2-deuterioethynyl)-6-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 118067829
ethyl 7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 137412830
ethyl 6-chloro-8-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 58934696
8-chloro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylic acid
CID 71731734
ethyl 5,7,8-trichloro-6-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 87870671
ethyl 2H-chromene-3-carboxylate;ethyl 7-fluoro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 157397236
ethyl 6-chloro-5-fluoro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 58934464
ethyl 5,7,8-trimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylate;2-hydroxy-3,4,6-trimethylbenzaldehyde
CID 158553168
6-chloro-8-iodo-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;ethyl 6-chloro-8-prop-1-ynyl-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 158056325

Frequently Asked Questions

What is the IUPAC name of ethyl 8-fluoro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylate?
The IUPAC name of ethyl 8-fluoro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylate (CID 141319909) is ethyl 8-fluoro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 8-fluoro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylate?
The canonical SMILES for ethyl 8-fluoro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylate is CCOC(=O)C1=Cc2cc([Si](C)(C)C)cc(F)c2OC1C(F)(F)F.
What is the InChIKey of ethyl 8-fluoro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylate?
The InChIKey is VNAJMSNYOJJWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4O3Si/c1-5-22-15(21)11-7-9-6-10(24(2,3)4)8-12(17)13(9)23-14(11)16(18,19)20/h6-8,14H,5H2,1-4H3.
What are the key properties of ethyl 8-fluoro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylate?
ethyl 8-fluoro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylate has a molecular weight of 362.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-fluoro-2-(trifluoromethyl)-6-trimethylsilyl-2H-chromene-3-carboxylate is sourced from PubChem (CID 141319909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).