[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate

C17H20F4O3 — CID 11501140

IUPAC[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCOCc1c(F)c(F)c(COC(=O)C2C(C)(C)C2(C)C)c(F)c1F
InChIInChI=1S/C17H20F4O3/c1-16(2)14(17(16,3)4)15(22)24-7-9-12(20)10(18)8(6-23-5)11(19)13(9)21/h14H,6-7H2,1-5H3
InChIKeyAPEPLROGLDYWBS-UHFFFAOYSA-N
MW348.34 g/mol
LogP4.11
Rot. Bonds5

About [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate

[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate (PubChem CID 11501140) has the molecular formula C17H20F4O3 and a molecular weight of 348.34 g/mol. Its IUPAC name is [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
PubChem CID11501140
Molecular FormulaC17H20F4O3
Molecular Weight348.34 g/mol
Exact Mass348.13
IUPAC Name[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCOCc1c(F)c(F)c(COC(=O)C2C(C)(C)C2(C)C)c(F)c1F
InChIInChI=1S/C17H20F4O3/c1-16(2)14(17(16,3)4)15(22)24-7-9-12(20)10(18)8(6-23-5)11(19)13(9)21/h14H,6-7H2,1-5H3
InChIKeyAPEPLROGLDYWBS-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The IUPAC name of [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate (CID 11501140) is [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate.
What is the SMILES notation for [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The canonical SMILES for [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate is COCc1c(F)c(F)c(COC(=O)C2C(C)(C)C2(C)C)c(F)c1F.
What is the InChIKey of [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The InChIKey is APEPLROGLDYWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4O3/c1-16(2)14(17(16,3)4)15(22)24-7-9-12(20)10(18)8(6-23-5)11(19)13(9)21/h14H,6-7H2,1-5H3.
What are the key properties of [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate has a molecular weight of 348.34 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate is sourced from PubChem (CID 11501140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).