3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1-benzofuran-6-ol

C10H10F3NO2 — CID 24709373

IUPAC3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NCC(F)(F)F
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)5-14-8-4-16-9-3-6(15)1-2-7(8)9/h1-3,8,14-15H,4-5H2
InChIKeyHTLOMXVLUGWSLX-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.98
Rot. Bonds2

About 3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1-benzofuran-6-ol

3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 24709373) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID24709373
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NCC(F)(F)F
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)5-14-8-4-16-9-3-6(15)1-2-7(8)9/h1-3,8,14-15H,4-5H2
InChIKeyHTLOMXVLUGWSLX-UHFFFAOYSA-N
XLogP1.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1-benzofuran-6-ol (CID 24709373) is 3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1-benzofuran-6-ol is Oc1ccc2c(c1)OCC2NCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is HTLOMXVLUGWSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)5-14-8-4-16-9-3-6(15)1-2-7(8)9/h1-3,8,14-15H,4-5H2.
What are the key properties of 3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1-benzofuran-6-ol?
3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 233.19 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylamino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 24709373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).