methyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate

C14H15F5O3Si — CID 102102674

IUPACmethyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1(O[Si](C)(C)C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H15F5O3Si/c1-21-13(20)6-5-14(6,22-23(2,3)4)7-8(15)10(17)12(19)11(18)9(7)16/h6H,5H2,1-4H3
InChIKeyZAWBBLNNADOVPJ-UHFFFAOYSA-N
MW354.35 g/mol
LogP3.62
Rot. Bonds4

About methyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate

methyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate (PubChem CID 102102674) has the molecular formula C14H15F5O3Si and a molecular weight of 354.35 g/mol. Its IUPAC name is methyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate
PubChem CID102102674
Molecular FormulaC14H15F5O3Si
Molecular Weight354.35 g/mol
Exact Mass354.07
IUPAC Namemethyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1(O[Si](C)(C)C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H15F5O3Si/c1-21-13(20)6-5-14(6,22-23(2,3)4)7-8(15)10(17)12(19)11(18)9(7)16/h6H,5H2,1-4H3
InChIKeyZAWBBLNNADOVPJ-UHFFFAOYSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate (CID 102102674) is methyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate is COC(=O)C1CC1(O[Si](C)(C)C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of methyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate?
The InChIKey is ZAWBBLNNADOVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F5O3Si/c1-21-13(20)6-5-14(6,22-23(2,3)4)7-8(15)10(17)12(19)11(18)9(7)16/h6H,5H2,1-4H3.
What are the key properties of methyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate?
methyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate has a molecular weight of 354.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3,4,5,6-pentafluorophenyl)-2-trimethylsilyloxycyclopropane-1-carboxylate is sourced from PubChem (CID 102102674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).