(3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol

C10H9F3O2 — CID 141458229

IUPAC(3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol
SMILESC[C@@]1(C(F)(F)F)OCc2ccc(O)cc21
InChIInChI=1S/C10H9F3O2/c1-9(10(11,12)13)8-4-7(14)3-2-6(8)5-15-9/h2-4,14H,5H2,1H3/t9-/m1/s1
InChIKeyCWAAIRDZAWUAEX-SECBINFHSA-N
MW218.17 g/mol
LogP2.70
Rot. Bonds

About (3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol

(3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol (PubChem CID 141458229) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is (3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol.

Molecular Properties

Compound Name(3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol
PubChem CID141458229
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name(3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol
SMILESC[C@@]1(C(F)(F)F)OCc2ccc(O)cc21
InChIInChI=1S/C10H9F3O2/c1-9(10(11,12)13)8-4-7(14)3-2-6(8)5-15-9/h2-4,14H,5H2,1H3/t9-/m1/s1
InChIKeyCWAAIRDZAWUAEX-SECBINFHSA-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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Related Compounds

3,3-dimethyl-1H-2-benzofuran-5-ol
CID 57076460
3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-4-ol
CID 118030767
[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylidene-N'-(2-methylprop-1-enyl)carbamimidate
CID 123188568
4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[1H-2-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol
CID 158704088
2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-amine
CID 71112994
4,4-dimethyl-1,3-dihydroisochromen-6-ol;3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol;spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-ol;3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran-5-ol;3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-ol
CID 160956988
4-(3,3-dimethyl-1H-2-benzofuran-5-yl)phenol
CID 174712977
spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol
CID 21240933
3,3-dimethyl-1-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]pyrrolidine-2,5-dione
CID 158649129
[1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol
CID 90300107
5-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)-2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyridine
CID 146591496
1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol
CID 84717936

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol?
The IUPAC name of (3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol (CID 141458229) is (3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol.
What is the SMILES notation for (3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol?
The canonical SMILES for (3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol is C[C@@]1(C(F)(F)F)OCc2ccc(O)cc21.
What is the InChIKey of (3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol?
The InChIKey is CWAAIRDZAWUAEX-SECBINFHSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-9(10(11,12)13)8-4-7(14)3-2-6(8)5-15-9/h2-4,14H,5H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol?
(3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-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 (3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol is sourced from PubChem (CID 141458229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).