methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate

C16H13F3O6 — CID 2097734

IUPACmethyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2ccc(OC(F)(F)F)cc2)oc1C
InChIInChI=1S/C16H13F3O6/c1-9-13(15(21)22-2)7-12(24-9)8-23-14(20)10-3-5-11(6-4-10)25-16(17,18)19/h3-7H,8H2,1-2H3
InChIKeyCPQZUYISHOWIDM-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.63
Rot. Bonds5

About methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate

methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate (PubChem CID 2097734) has the molecular formula C16H13F3O6 and a molecular weight of 358.27 g/mol. Its IUPAC name is methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate
PubChem CID2097734
Molecular FormulaC16H13F3O6
Molecular Weight358.27 g/mol
Exact Mass358.07
IUPAC Namemethyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2ccc(OC(F)(F)F)cc2)oc1C
InChIInChI=1S/C16H13F3O6/c1-9-13(15(21)22-2)7-12(24-9)8-23-14(20)10-3-5-11(6-4-10)25-16(17,18)19/h3-7H,8H2,1-2H3
InChIKeyCPQZUYISHOWIDM-UHFFFAOYSA-N
XLogP3.63
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(4-chlorobenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 2481052
methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate
CID 34481720
methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 9019518
methyl 5-[[4-(difluoromethylsulfonyl)benzoyl]oxymethyl]-2-methylfuran-3-carboxylate
CID 7679809
methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate
CID 7625888
methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 78767749
methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate
CID 8553043
methyl 2-methyl-5-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]oxymethyl]furan-3-carboxylate
CID 7967729
methyl 5-[(3-hydroxynaphthalene-2-carbonyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7812111
2-methoxyethyl 4-(trifluoromethoxy)benzoate
CID 78831247
methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate
CID 106484958
methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7993888

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate (CID 2097734) is methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate is COC(=O)c1cc(COC(=O)c2ccc(OC(F)(F)F)cc2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate?
The InChIKey is CPQZUYISHOWIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O6/c1-9-13(15(21)22-2)7-12(24-9)8-23-14(20)10-3-5-11(6-4-10)25-16(17,18)19/h3-7H,8H2,1-2H3.
What are the key properties of methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate?
methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate has a molecular weight of 358.27 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate is sourced from PubChem (CID 2097734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).