4,6,7-trifluorodibenzofuran-3-ol

C12H5F3O2 — CID 131993194

IUPAC4,6,7-trifluorodibenzofuran-3-ol
SMILESOc1ccc2c(oc3c(F)c(F)ccc32)c1F
InChIInChI=1S/C12H5F3O2/c13-7-3-1-5-6-2-4-8(16)10(15)12(6)17-11(5)9(7)14/h1-4,16H
InChIKeyPJURMHAMURRHKF-UHFFFAOYSA-N
MW238.16 g/mol
LogP3.71
Rot. Bonds

About 4,6,7-trifluorodibenzofuran-3-ol

4,6,7-trifluorodibenzofuran-3-ol (PubChem CID 131993194) has the molecular formula C12H5F3O2 and a molecular weight of 238.16 g/mol. Its IUPAC name is 4,6,7-trifluorodibenzofuran-3-ol.

Molecular Properties

Compound Name4,6,7-trifluorodibenzofuran-3-ol
PubChem CID131993194
Molecular FormulaC12H5F3O2
Molecular Weight238.16 g/mol
Exact Mass238.02
IUPAC Name4,6,7-trifluorodibenzofuran-3-ol
SMILESOc1ccc2c(oc3c(F)c(F)ccc32)c1F
InChIInChI=1S/C12H5F3O2/c13-7-3-1-5-6-2-4-8(16)10(15)12(6)17-11(5)9(7)14/h1-4,16H
InChIKeyPJURMHAMURRHKF-UHFFFAOYSA-N
XLogP3.71
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6,7-trifluorodibenzofuran-3-ol?
The IUPAC name of 4,6,7-trifluorodibenzofuran-3-ol (CID 131993194) is 4,6,7-trifluorodibenzofuran-3-ol.
What is the SMILES notation for 4,6,7-trifluorodibenzofuran-3-ol?
The canonical SMILES for 4,6,7-trifluorodibenzofuran-3-ol is Oc1ccc2c(oc3c(F)c(F)ccc32)c1F.
What is the InChIKey of 4,6,7-trifluorodibenzofuran-3-ol?
The InChIKey is PJURMHAMURRHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F3O2/c13-7-3-1-5-6-2-4-8(16)10(15)12(6)17-11(5)9(7)14/h1-4,16H.
What are the key properties of 4,6,7-trifluorodibenzofuran-3-ol?
4,6,7-trifluorodibenzofuran-3-ol has a molecular weight of 238.16 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trifluorodibenzofuran-3-ol is sourced from PubChem (CID 131993194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).