methyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate

C15H13F3O4 — CID 68512214

IUPACmethyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate
SMILESCOCc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)OC
InChIInChI=1S/C15H13F3O4/c1-20-8-13-11(14(19)21-2)7-12(22-13)9-3-5-10(6-4-9)15(16,17)18/h3-7H,8H2,1-2H3
InChIKeyASLFPLFLWXMXOS-UHFFFAOYSA-N
MW314.26 g/mol
LogP3.90
Rot. Bonds4

About methyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate

methyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate (PubChem CID 68512214) has the molecular formula C15H13F3O4 and a molecular weight of 314.26 g/mol. Its IUPAC name is methyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate
PubChem CID68512214
Molecular FormulaC15H13F3O4
Molecular Weight314.26 g/mol
Exact Mass314.08
IUPAC Namemethyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate
SMILESCOCc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)OC
InChIInChI=1S/C15H13F3O4/c1-20-8-13-11(14(19)21-2)7-12(22-13)9-3-5-10(6-4-9)15(16,17)18/h3-7H,8H2,1-2H3
InChIKeyASLFPLFLWXMXOS-UHFFFAOYSA-N
XLogP3.90
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-ethyl-5-(4-methoxyphenyl)furan-3-carboxylate
CID 68514199
methyl 4,5-difluoro-2-[4-(trifluoromethyl)phenyl]benzoate
CID 118835382
methyl 2-(aminomethyl)-5-phenylfuran-3-carboxylate
CID 885353
1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone
CID 23074393
methyl 2-(methylsulfanylmethyl)-5-phenylfuran-3-carboxylate
CID 68512547
2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylic acid
CID 2778104
methyl 2-methoxy-5-(4-methoxyphenyl)furan-3-carboxylate
CID 10038329
methyl 3-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzoate
CID 134630678
methyl 2-hydroxy-4-[4-(trifluoromethyl)phenoxy]benzoate
CID 14554238
methyl 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 87395859
methyl 2-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]chromene-3-carboxylate
CID 86343169
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate?
The IUPAC name of methyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate (CID 68512214) is methyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate is COCc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)OC.
What is the InChIKey of methyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate?
The InChIKey is ASLFPLFLWXMXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O4/c1-20-8-13-11(14(19)21-2)7-12(22-13)9-3-5-10(6-4-9)15(16,17)18/h3-7H,8H2,1-2H3.
What are the key properties of methyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate?
methyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate has a molecular weight of 314.26 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 methyl 2-(methoxymethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate is sourced from PubChem (CID 68512214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).