2,2,2-trifluoroethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate

C18H13F3O4 — CID 4147483

IUPAC2,2,2-trifluoroethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate
SMILESO=C(OCC(F)(F)F)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C18H13F3O4/c19-18(20,21)11-24-17(22)16-8-7-15(25-16)10-23-14-6-5-12-3-1-2-4-13(12)9-14/h1-9H,10-11H2
InChIKeyUVGPURISWVCUHW-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.73
Rot. Bonds5

About 2,2,2-trifluoroethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate

2,2,2-trifluoroethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate (PubChem CID 4147483) has the molecular formula C18H13F3O4 and a molecular weight of 350.29 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate
PubChem CID4147483
Molecular FormulaC18H13F3O4
Molecular Weight350.29 g/mol
Exact Mass350.08
IUPAC Name2,2,2-trifluoroethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate
SMILESO=C(OCC(F)(F)F)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C18H13F3O4/c19-18(20,21)11-24-17(22)16-8-7-15(25-16)10-23-14-6-5-12-3-1-2-4-13(12)9-14/h1-9H,10-11H2
InChIKeyUVGPURISWVCUHW-UHFFFAOYSA-N
XLogP4.73
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate (CID 4147483) is 2,2,2-trifluoroethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate is O=C(OCC(F)(F)F)c1ccc(COc2ccc3ccccc3c2)o1.
What is the InChIKey of 2,2,2-trifluoroethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate?
The InChIKey is UVGPURISWVCUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3O4/c19-18(20,21)11-24-17(22)16-8-7-15(25-16)10-23-14-6-5-12-3-1-2-4-13(12)9-14/h1-9H,10-11H2.
What are the key properties of 2,2,2-trifluoroethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate?
2,2,2-trifluoroethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate has a molecular weight of 350.29 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate is sourced from PubChem (CID 4147483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).