1-[7-(trifluoromethyl)-1-benzofuran-2-yl]ethanone

C11H7F3O2 — CID 117196464

IUPAC1-[7-(trifluoromethyl)-1-benzofuran-2-yl]ethanone
SMILESCC(=O)c1cc2cccc(C(F)(F)F)c2o1
InChIInChI=1S/C11H7F3O2/c1-6(15)9-5-7-3-2-4-8(10(7)16-9)11(12,13)14/h2-5H,1H3
InChIKeyDUIKALAVRVLQIX-UHFFFAOYSA-N
MW228.17 g/mol
LogP3.65
Rot. Bonds1

About 1-[7-(trifluoromethyl)-1-benzofuran-2-yl]ethanone

1-[7-(trifluoromethyl)-1-benzofuran-2-yl]ethanone (PubChem CID 117196464) has the molecular formula C11H7F3O2 and a molecular weight of 228.17 g/mol. Its IUPAC name is 1-[7-(trifluoromethyl)-1-benzofuran-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-(trifluoromethyl)-1-benzofuran-2-yl]ethanone
PubChem CID117196464
Molecular FormulaC11H7F3O2
Molecular Weight228.17 g/mol
Exact Mass228.04
IUPAC Name1-[7-(trifluoromethyl)-1-benzofuran-2-yl]ethanone
SMILESCC(=O)c1cc2cccc(C(F)(F)F)c2o1
InChIInChI=1S/C11H7F3O2/c1-6(15)9-5-7-3-2-4-8(10(7)16-9)11(12,13)14/h2-5H,1H3
InChIKeyDUIKALAVRVLQIX-UHFFFAOYSA-N
XLogP3.65
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
tert-butyl 2-(2-acetyl-1-benzofuran-7-yl)acetate
CID 10849916
1-(7-butan-2-yl-1-benzofuran-2-yl)ethanone
CID 14468441
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone
CID 175384005
1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]propan-2-one
CID 117196513
5-[7-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazole-3-carboxylic acid
CID 115109779
1-[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]ethanone
CID 119014536
1-[7-(2,3-dihydroxypropoxy)-1-benzofuran-2-yl]ethanone
CID 13130644
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone
CID 23005288
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone
CID 65428211

Frequently Asked Questions

What is the IUPAC name of 1-[7-(trifluoromethyl)-1-benzofuran-2-yl]ethanone?
The IUPAC name of 1-[7-(trifluoromethyl)-1-benzofuran-2-yl]ethanone (CID 117196464) is 1-[7-(trifluoromethyl)-1-benzofuran-2-yl]ethanone.
What is the SMILES notation for 1-[7-(trifluoromethyl)-1-benzofuran-2-yl]ethanone?
The canonical SMILES for 1-[7-(trifluoromethyl)-1-benzofuran-2-yl]ethanone is CC(=O)c1cc2cccc(C(F)(F)F)c2o1.
What is the InChIKey of 1-[7-(trifluoromethyl)-1-benzofuran-2-yl]ethanone?
The InChIKey is DUIKALAVRVLQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O2/c1-6(15)9-5-7-3-2-4-8(10(7)16-9)11(12,13)14/h2-5H,1H3.
What are the key properties of 1-[7-(trifluoromethyl)-1-benzofuran-2-yl]ethanone?
1-[7-(trifluoromethyl)-1-benzofuran-2-yl]ethanone has a molecular weight of 228.17 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(trifluoromethyl)-1-benzofuran-2-yl]ethanone is sourced from PubChem (CID 117196464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).