1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one

C14H15FO2 — CID 102990678

IUPAC1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
SMILESCc1ccc(F)c2cc(C(=O)C(C)(C)C)oc12
InChIInChI=1S/C14H15FO2/c1-8-5-6-10(15)9-7-11(17-12(8)9)13(16)14(2,3)4/h5-7H,1-4H3
InChIKeyGUHGOOZXFLLUMK-UHFFFAOYSA-N
MW234.27 g/mol
LogP4.11
Rot. Bonds1

About 1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one

1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 102990678) has the molecular formula C14H15FO2 and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
PubChem CID102990678
Molecular FormulaC14H15FO2
Molecular Weight234.27 g/mol
Exact Mass234.11
IUPAC Name1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
SMILESCc1ccc(F)c2cc(C(=O)C(C)(C)C)oc12
InChIInChI=1S/C14H15FO2/c1-8-5-6-10(15)9-7-11(17-12(8)9)13(16)14(2,3)4/h5-7H,1-4H3
InChIKeyGUHGOOZXFLLUMK-UHFFFAOYSA-N
XLogP4.11
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one (CID 102990678) is 1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one is Cc1ccc(F)c2cc(C(=O)C(C)(C)C)oc12.
What is the InChIKey of 1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is GUHGOOZXFLLUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2/c1-8-5-6-10(15)9-7-11(17-12(8)9)13(16)14(2,3)4/h5-7H,1-4H3.
What are the key properties of 1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one?
1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 234.27 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-7-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 102990678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).