2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol

C13H15F3O2 — CID 117200556

IUPAC2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
SMILESCC(C)(O)CC1Cc2cc(C(F)(F)F)ccc2O1
InChIInChI=1S/C13H15F3O2/c1-12(2,17)7-10-6-8-5-9(13(14,15)16)3-4-11(8)18-10/h3-5,10,17H,6-7H2,1-2H3
InChIKeyHJKPHTXNMRHMPC-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.17
Rot. Bonds2

About 2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol

2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol (PubChem CID 117200556) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
PubChem CID117200556
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
SMILESCC(C)(O)CC1Cc2cc(C(F)(F)F)ccc2O1
InChIInChI=1S/C13H15F3O2/c1-12(2,17)7-10-6-8-5-9(13(14,15)16)3-4-11(8)18-10/h3-5,10,17H,6-7H2,1-2H3
InChIKeyHJKPHTXNMRHMPC-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1,1-dioxo-5-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-2-yl]-2-methylpropan-2-ol
CID 117200579
5-[1-(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-2-yl]-1,3-benzodioxole
CID 170226214
[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 19079501
3-(5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethylpropanoic acid
CID 117201292
2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol
CID 117198214
2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol
CID 66393326
2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]but-3-en-1-ol
CID 102641833
2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
CID 66393519
2,5-ditert-butyl-2,3-dihydro-1-benzofuran
CID 58591214
2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol
CID 117200631
3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 79837439
1-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethanol
CID 117202643

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol (CID 117200556) is 2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol is CC(C)(O)CC1Cc2cc(C(F)(F)F)ccc2O1.
What is the InChIKey of 2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol?
The InChIKey is HJKPHTXNMRHMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-12(2,17)7-10-6-8-5-9(13(14,15)16)3-4-11(8)18-10/h3-5,10,17H,6-7H2,1-2H3.
What are the key properties of 2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol?
2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol has a molecular weight of 260.25 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol is sourced from PubChem (CID 117200556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).