1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol

C11H11F3O2 — CID 117202643

IUPAC1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol
SMILESCC(O)C1Cc2ccc(C(F)(F)F)cc2O1
InChIInChI=1S/C11H11F3O2/c1-6(15)9-4-7-2-3-8(11(12,13)14)5-10(7)16-9/h2-3,5-6,9,15H,4H2,1H3
InChIKeyURNXKGIMPJMGCG-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.39
Rot. Bonds1

About 1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol

1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol (PubChem CID 117202643) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol
PubChem CID117202643
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol
SMILESCC(O)C1Cc2ccc(C(F)(F)F)cc2O1
InChIInChI=1S/C11H11F3O2/c1-6(15)9-4-7-2-3-8(11(12,13)14)5-10(7)16-9/h2-3,5-6,9,15H,4H2,1H3
InChIKeyURNXKGIMPJMGCG-UHFFFAOYSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200868
2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 162490775
[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
CID 73424795
1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine
CID 54124385
2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
CID 117200556
1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethanol
CID 135313148
8-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzoxepin-4-ol
CID 177205347
3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386100
1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 106835243
(3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol
CID 177205428
[4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol
CID 105454115
6-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-ol
CID 67087230

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol?
The IUPAC name of 1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol (CID 117202643) is 1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol.
What is the SMILES notation for 1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol?
The canonical SMILES for 1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol is CC(O)C1Cc2ccc(C(F)(F)F)cc2O1.
What is the InChIKey of 1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol?
The InChIKey is URNXKGIMPJMGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-6(15)9-4-7-2-3-8(11(12,13)14)5-10(7)16-9/h2-3,5-6,9,15H,4H2,1H3.
What are the key properties of 1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol?
1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol has a molecular weight of 232.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol is sourced from PubChem (CID 117202643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).