3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-4-ol

C10H9F3O2 — CID 118030763

IUPAC3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-4-ol
SMILESOc1cccc2c1C(CC(F)(F)F)OC2
InChIInChI=1S/C10H9F3O2/c11-10(12,13)4-8-9-6(5-15-8)2-1-3-7(9)14/h1-3,8,14H,4-5H2
InChIKeyZMGLKEUSBCIEEB-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.92
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-4-ol

3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-4-ol (PubChem CID 118030763) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-4-ol.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-4-ol
PubChem CID118030763
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-4-ol
SMILESOc1cccc2c1C(CC(F)(F)F)OC2
InChIInChI=1S/C10H9F3O2/c11-10(12,13)4-8-9-6(5-15-8)2-1-3-7(9)14/h1-3,8,14H,4-5H2
InChIKeyZMGLKEUSBCIEEB-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-4-ol?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-4-ol (CID 118030763) is 3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-4-ol.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-4-ol?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-4-ol is Oc1cccc2c1C(CC(F)(F)F)OC2.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-4-ol?
The InChIKey is ZMGLKEUSBCIEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c11-10(12,13)4-8-9-6(5-15-8)2-1-3-7(9)14/h1-3,8,14H,4-5H2.
What are the key properties of 3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-4-ol?
3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-4-ol has a molecular weight of 218.17 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-4-ol is sourced from PubChem (CID 118030763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).