3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol

C10H9F3O2 — CID 118030767

IUPAC3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol
SMILESCC1(C(F)(F)F)OCc2cccc(O)c21
InChIInChI=1S/C10H9F3O2/c1-9(10(11,12)13)8-6(5-15-9)3-2-4-7(8)14/h2-4,14H,5H2,1H3
InChIKeyLBSAONAWPLOBQM-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.70
Rot. Bonds

About 3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol

3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol (PubChem CID 118030767) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol.

Molecular Properties

Compound Name3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol
PubChem CID118030767
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol
SMILESCC1(C(F)(F)F)OCc2cccc(O)c21
InChIInChI=1S/C10H9F3O2/c1-9(10(11,12)13)8-6(5-15-9)3-2-4-7(8)14/h2-4,14H,5H2,1H3
InChIKeyLBSAONAWPLOBQM-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol?
The IUPAC name of 3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol (CID 118030767) is 3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol.
What is the SMILES notation for 3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol?
The canonical SMILES for 3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol is CC1(C(F)(F)F)OCc2cccc(O)c21.
What is the InChIKey of 3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol?
The InChIKey is LBSAONAWPLOBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-9(10(11,12)13)8-6(5-15-9)3-2-4-7(8)14/h2-4,14H,5H2,1H3.
What are the key properties of 3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol?
3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol has a molecular weight of 218.17 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol is sourced from PubChem (CID 118030767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).