3-cyclobutyl-7-ethoxy-1,2,8-trifluorodibenzofuran

C18H15F3O2 — CID 140909249

IUPAC3-cyclobutyl-7-ethoxy-1,2,8-trifluorodibenzofuran
SMILESCCOc1cc2oc3cc(C4CCC4)c(F)c(F)c3c2cc1F
InChIInChI=1S/C18H15F3O2/c1-2-22-14-8-13-11(6-12(14)19)16-15(23-13)7-10(9-4-3-5-9)17(20)18(16)21/h6-9H,2-5H2,1H3
InChIKeyRDNGHVNDSDXBHA-UHFFFAOYSA-N
MW320.31 g/mol
LogP5.67
Rot. Bonds3

About 3-cyclobutyl-7-ethoxy-1,2,8-trifluorodibenzofuran

3-cyclobutyl-7-ethoxy-1,2,8-trifluorodibenzofuran (PubChem CID 140909249) has the molecular formula C18H15F3O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 3-cyclobutyl-7-ethoxy-1,2,8-trifluorodibenzofuran.

Molecular Properties

Compound Name3-cyclobutyl-7-ethoxy-1,2,8-trifluorodibenzofuran
PubChem CID140909249
Molecular FormulaC18H15F3O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name3-cyclobutyl-7-ethoxy-1,2,8-trifluorodibenzofuran
SMILESCCOc1cc2oc3cc(C4CCC4)c(F)c(F)c3c2cc1F
InChIInChI=1S/C18H15F3O2/c1-2-22-14-8-13-11(6-12(14)19)16-15(23-13)7-10(9-4-3-5-9)17(20)18(16)21/h6-9H,2-5H2,1H3
InChIKeyRDNGHVNDSDXBHA-UHFFFAOYSA-N
XLogP5.67
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.31
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-7-ethoxy-1,2,8-trifluorodibenzofuran?
The IUPAC name of 3-cyclobutyl-7-ethoxy-1,2,8-trifluorodibenzofuran (CID 140909249) is 3-cyclobutyl-7-ethoxy-1,2,8-trifluorodibenzofuran.
What is the SMILES notation for 3-cyclobutyl-7-ethoxy-1,2,8-trifluorodibenzofuran?
The canonical SMILES for 3-cyclobutyl-7-ethoxy-1,2,8-trifluorodibenzofuran is CCOc1cc2oc3cc(C4CCC4)c(F)c(F)c3c2cc1F.
What is the InChIKey of 3-cyclobutyl-7-ethoxy-1,2,8-trifluorodibenzofuran?
The InChIKey is RDNGHVNDSDXBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O2/c1-2-22-14-8-13-11(6-12(14)19)16-15(23-13)7-10(9-4-3-5-9)17(20)18(16)21/h6-9H,2-5H2,1H3.
What are the key properties of 3-cyclobutyl-7-ethoxy-1,2,8-trifluorodibenzofuran?
3-cyclobutyl-7-ethoxy-1,2,8-trifluorodibenzofuran has a molecular weight of 320.31 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-7-ethoxy-1,2,8-trifluorodibenzofuran is sourced from PubChem (CID 140909249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).