[1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol

C11H11F3O2 — CID 90300107

IUPAC[1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol
SMILESCC1(CO)OCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H11F3O2/c1-10(6-15)9-4-8(11(12,13)14)3-2-7(9)5-16-10/h2-4,15H,5-6H2,1H3
InChIKeyMWTNVGXDGDZRBO-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.44
Rot. Bonds1

About [1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol

[1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol (PubChem CID 90300107) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is [1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol.

Molecular Properties

Compound Name[1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol
PubChem CID90300107
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name[1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol
SMILESCC1(CO)OCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H11F3O2/c1-10(6-15)9-4-8(11(12,13)14)3-2-7(9)5-16-10/h2-4,15H,5-6H2,1H3
InChIKeyMWTNVGXDGDZRBO-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methyl 4-methylbenzenesulfonate
CID 118564110
CID 175938314
CID 175938314
7-methyl-4-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 68524778
3-methyl-8-(4-methylimidazol-1-yl)-2-[[1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methyl]-4,5-dihydro-3H-pyrido[1,2-a][1,4]diazepine-1,7-dione
CID 146383866
2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane
CID 83949742
1-methyl-5-(trifluoromethyl)-2,3-dihydroindene-1-carboxylic acid
CID 115045193
(3R)-3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-ol
CID 141458229
(1S,2S)-2-bromo-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroinden-1-ol
CID 54303916
4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride
CID 71303219
(3S,3'R,4'S,5'S,6'R)-6'-(hydroxymethyl)-5-[[4-(trifluoromethyl)phenyl]methyl]spiro[1H-2-benzofuran-3,2'-thiane]-3',4',5'-triol
CID 59279036
[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-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol?
The IUPAC name of [1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol (CID 90300107) is [1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol.
What is the SMILES notation for [1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol?
The canonical SMILES for [1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol is CC1(CO)OCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of [1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol?
The InChIKey is MWTNVGXDGDZRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-10(6-15)9-4-8(11(12,13)14)3-2-7(9)5-16-10/h2-4,15H,5-6H2,1H3.
What are the key properties of [1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol?
[1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol has a molecular weight of 232.20 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol is sourced from PubChem (CID 90300107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).