ethyl 3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate

C17H20F4O4 — CID 166159343

IUPACethyl 3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate
SMILESCCOC(=O)C1OC(C)(C(F)(F)F)CC1c1ccc(F)c(C)c1OC
InChIInChI=1S/C17H20F4O4/c1-5-24-15(22)14-11(8-16(3,25-14)17(19,20)21)10-6-7-12(18)9(2)13(10)23-4/h6-7,11,14H,5,8H2,1-4H3
InChIKeyYKXVWYVWMCYYNA-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.90
Rot. Bonds4

About ethyl 3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate

ethyl 3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate (PubChem CID 166159343) has the molecular formula C17H20F4O4 and a molecular weight of 364.34 g/mol. Its IUPAC name is ethyl 3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate
PubChem CID166159343
Molecular FormulaC17H20F4O4
Molecular Weight364.34 g/mol
Exact Mass364.13
IUPAC Nameethyl 3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate
SMILESCCOC(=O)C1OC(C)(C(F)(F)F)CC1c1ccc(F)c(C)c1OC
InChIInChI=1S/C17H20F4O4/c1-5-24-15(22)14-11(8-16(3,25-14)17(19,20)21)10-6-7-12(18)9(2)13(10)23-4/h6-7,11,14H,5,8H2,1-4H3
InChIKeyYKXVWYVWMCYYNA-UHFFFAOYSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate?
The IUPAC name of ethyl 3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate (CID 166159343) is ethyl 3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate.
What is the SMILES notation for ethyl 3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate?
The canonical SMILES for ethyl 3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate is CCOC(=O)C1OC(C)(C(F)(F)F)CC1c1ccc(F)c(C)c1OC.
What is the InChIKey of ethyl 3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate?
The InChIKey is YKXVWYVWMCYYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4O4/c1-5-24-15(22)14-11(8-16(3,25-14)17(19,20)21)10-6-7-12(18)9(2)13(10)23-4/h6-7,11,14H,5,8H2,1-4H3.
What are the key properties of ethyl 3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate?
ethyl 3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate has a molecular weight of 364.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate is sourced from PubChem (CID 166159343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).