1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol

C12H11F3O2 — CID 117121746

IUPAC1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol
SMILESCC(O)Cc1coc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C12H11F3O2/c1-7(16)4-8-6-17-11-5-9(12(13,14)15)2-3-10(8)11/h2-3,5-7,16H,4H2,1H3
InChIKeyDYTQTKXRNIXRAM-UHFFFAOYSA-N
MW244.21 g/mol
LogP3.37
Rot. Bonds2

About 1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol

1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol (PubChem CID 117121746) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol
PubChem CID117121746
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol
SMILESCC(O)Cc1coc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C12H11F3O2/c1-7(16)4-8-6-17-11-5-9(12(13,14)15)2-3-10(8)11/h2-3,5-7,16H,4H2,1H3
InChIKeyDYTQTKXRNIXRAM-UHFFFAOYSA-N
XLogP3.37
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,6-dibutylphenyl)methyl]-6-(trifluoromethyl)-1-benzofuran
CID 122129960
2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine
CID 117121751
6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
CID 117185533
2-[5-(trifluoromethyl)-1-benzofuran-3-yl]propanoic acid
CID 117120641
1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117305547
N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine
CID 117195401
2-[6-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methylsulfanyl]-1-benzofuran-3-yl]acetic acid
CID 10254346
1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117121432
3-(2,2-dimethylpropyl)-1-benzofuran-6-ol
CID 22459006
[5-(trifluoromethyl)-2-benzofuran-1-yl]methanol
CID 90285766
1-amino-3-(1-benzofuran-3-yl)propan-2-ol
CID 116859204
(6-methyl-1-benzofuran-3-yl)methanol
CID 11084186

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol?
The IUPAC name of 1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol (CID 117121746) is 1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol.
What is the SMILES notation for 1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol?
The canonical SMILES for 1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol is CC(O)Cc1coc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol?
The InChIKey is DYTQTKXRNIXRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O2/c1-7(16)4-8-6-17-11-5-9(12(13,14)15)2-3-10(8)11/h2-3,5-7,16H,4H2,1H3.
What are the key properties of 1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol?
1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol has a molecular weight of 244.21 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol is sourced from PubChem (CID 117121746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).