methyl 2-[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-yl]acetate

C12H11F3O3 — CID 102108081

IUPACmethyl 2-[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-yl]acetate
SMILESCOC(=O)CC1OC(C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H11F3O3/c1-17-10(16)6-9-7-4-2-3-5-8(7)11(18-9)12(13,14)15/h2-5,9,11H,6H2,1H3
InChIKeyFAUKTJRQIMFWHG-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.92
Rot. Bonds2

About methyl 2-[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-yl]acetate

methyl 2-[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-yl]acetate (PubChem CID 102108081) has the molecular formula C12H11F3O3 and a molecular weight of 260.21 g/mol. Its IUPAC name is methyl 2-[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-yl]acetate
PubChem CID102108081
Molecular FormulaC12H11F3O3
Molecular Weight260.21 g/mol
Exact Mass260.07
IUPAC Namemethyl 2-[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-yl]acetate
SMILESCOC(=O)CC1OC(C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H11F3O3/c1-17-10(16)6-9-7-4-2-3-5-8(7)11(18-9)12(13,14)15/h2-5,9,11H,6H2,1H3
InChIKeyFAUKTJRQIMFWHG-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-[(1S,3R)-3-methoxy-2,3-dihydro-1H-inden-1-yl]acetate
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methyl 2-[(1R,2S,3S)-3-hydroxy-2-nitro-2,3-dihydro-1H-inden-1-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-yl]acetate?
The IUPAC name of methyl 2-[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-yl]acetate (CID 102108081) is methyl 2-[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-yl]acetate is COC(=O)CC1OC(C(F)(F)F)c2ccccc21.
What is the InChIKey of methyl 2-[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-yl]acetate?
The InChIKey is FAUKTJRQIMFWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O3/c1-17-10(16)6-9-7-4-2-3-5-8(7)11(18-9)12(13,14)15/h2-5,9,11H,6H2,1H3.
What are the key properties of methyl 2-[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-yl]acetate?
methyl 2-[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-yl]acetate has a molecular weight of 260.21 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-yl]acetate is sourced from PubChem (CID 102108081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).