7-fluoro-1-benzofuran-2-carboxylic acid

C9H5FO3 — CID 22244304

IUPAC7-fluoro-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C9H5FO3/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4H,(H,11,12)
InChIKeyHHCPFHBJPUWLOB-UHFFFAOYSA-N
MW180.13 g/mol
LogP2.27
Rot. Bonds1

About 7-fluoro-1-benzofuran-2-carboxylic acid

7-fluoro-1-benzofuran-2-carboxylic acid (PubChem CID 22244304) has the molecular formula C9H5FO3 and a molecular weight of 180.13 g/mol. Its IUPAC name is 7-fluoro-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-1-benzofuran-2-carboxylic acid
PubChem CID22244304
Molecular FormulaC9H5FO3
Molecular Weight180.13 g/mol
Exact Mass180.02
IUPAC Name7-fluoro-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C9H5FO3/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4H,(H,11,12)
InChIKeyHHCPFHBJPUWLOB-UHFFFAOYSA-N
XLogP2.27
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
1-(7-fluoro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone
CID 103458090
(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957426
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone
CID 114725192
1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one
CID 114725241
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114725353
4-chloro-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
CID 114725511
7-propan-2-yl-1-benzofuran-2-carboxylic acid
CID 82372668
3-amino-1-(7-fluoro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 114737156
2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
CID 114736846
[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737005
(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809828

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-benzofuran-2-carboxylic acid?
The IUPAC name of 7-fluoro-1-benzofuran-2-carboxylic acid (CID 22244304) is 7-fluoro-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 7-fluoro-1-benzofuran-2-carboxylic acid is O=C(O)c1cc2cccc(F)c2o1.
What is the InChIKey of 7-fluoro-1-benzofuran-2-carboxylic acid?
The InChIKey is HHCPFHBJPUWLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO3/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4H,(H,11,12).
What are the key properties of 7-fluoro-1-benzofuran-2-carboxylic acid?
7-fluoro-1-benzofuran-2-carboxylic acid has a molecular weight of 180.13 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 22244304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).