2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid

C12H11FO3 — CID 114732727

IUPAC2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H11FO3/c1-12(2,11(14)15)9-6-7-4-3-5-8(13)10(7)16-9/h3-6H,1-2H3,(H,14,15)
InChIKeyHTJPLNKRXKOYHP-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.93
Rot. Bonds2

About 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid

2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid (PubChem CID 114732727) has the molecular formula C12H11FO3 and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid
PubChem CID114732727
Molecular FormulaC12H11FO3
Molecular Weight222.22 g/mol
Exact Mass222.07
IUPAC Name2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H11FO3/c1-12(2,11(14)15)9-6-7-4-3-5-8(13)10(7)16-9/h3-6H,1-2H3,(H,14,15)
InChIKeyHTJPLNKRXKOYHP-UHFFFAOYSA-N
XLogP2.93
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol
CID 114724331
1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one
CID 114725241
2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735426
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol
CID 114735205
1-(2-chlorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114723008
1-(7-fluoro-1-benzofuran-2-yl)-1-(5-methylthiophen-2-yl)ethanol
CID 114910683
3-amino-1-(7-fluoro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 114737156
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
2-(7-fluoro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117123001
2-tert-butyl-1-benzofuran-7-ol
CID 167376192
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114725353

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid (CID 114732727) is 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid?
The InChIKey is HTJPLNKRXKOYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO3/c1-12(2,11(14)15)9-6-7-4-3-5-8(13)10(7)16-9/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid?
2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid has a molecular weight of 222.22 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 114732727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).