4-fluoro-2-(7-fluoro-1-benzofuran-2-yl)benzoic acid

C15H8F2O3 — CID 114731735

IUPAC4-fluoro-2-(7-fluoro-1-benzofuran-2-yl)benzoic acid
SMILESO=C(O)c1ccc(F)cc1-c1cc2cccc(F)c2o1
InChIInChI=1S/C15H8F2O3/c16-9-4-5-10(15(18)19)11(7-9)13-6-8-2-1-3-12(17)14(8)20-13/h1-7H,(H,18,19)
InChIKeyBWRMKSHRPBOKOS-UHFFFAOYSA-N
MW274.22 g/mol
LogP4.08
Rot. Bonds2

About 4-fluoro-2-(7-fluoro-1-benzofuran-2-yl)benzoic acid

4-fluoro-2-(7-fluoro-1-benzofuran-2-yl)benzoic acid (PubChem CID 114731735) has the molecular formula C15H8F2O3 and a molecular weight of 274.22 g/mol. Its IUPAC name is 4-fluoro-2-(7-fluoro-1-benzofuran-2-yl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(7-fluoro-1-benzofuran-2-yl)benzoic acid
PubChem CID114731735
Molecular FormulaC15H8F2O3
Molecular Weight274.22 g/mol
Exact Mass274.04
IUPAC Name4-fluoro-2-(7-fluoro-1-benzofuran-2-yl)benzoic acid
SMILESO=C(O)c1ccc(F)cc1-c1cc2cccc(F)c2o1
InChIInChI=1S/C15H8F2O3/c16-9-4-5-10(15(18)19)11(7-9)13-6-8-2-1-3-12(17)14(8)20-13/h1-7H,(H,18,19)
InChIKeyBWRMKSHRPBOKOS-UHFFFAOYSA-N
XLogP4.08
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(7-methyl-1-benzofuran-2-yl)benzoic acid
CID 107989908
5-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazole-4-carboxylic acid
CID 115109503
4-fluoro-2-(2-fluorophenyl)benzoic acid
CID 46312310
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol
CID 107663435
2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113758
5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde
CID 114077838
4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid
CID 114731769
3-methyl-4-(7-methyl-1-benzofuran-2-yl)benzoic acid
CID 114731658
1-(7-fluoro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone
CID 103458090
2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid
CID 114732727
N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732481

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(7-fluoro-1-benzofuran-2-yl)benzoic acid?
The IUPAC name of 4-fluoro-2-(7-fluoro-1-benzofuran-2-yl)benzoic acid (CID 114731735) is 4-fluoro-2-(7-fluoro-1-benzofuran-2-yl)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(7-fluoro-1-benzofuran-2-yl)benzoic acid?
The canonical SMILES for 4-fluoro-2-(7-fluoro-1-benzofuran-2-yl)benzoic acid is O=C(O)c1ccc(F)cc1-c1cc2cccc(F)c2o1.
What is the InChIKey of 4-fluoro-2-(7-fluoro-1-benzofuran-2-yl)benzoic acid?
The InChIKey is BWRMKSHRPBOKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2O3/c16-9-4-5-10(15(18)19)11(7-9)13-6-8-2-1-3-12(17)14(8)20-13/h1-7H,(H,18,19).
What are the key properties of 4-fluoro-2-(7-fluoro-1-benzofuran-2-yl)benzoic acid?
4-fluoro-2-(7-fluoro-1-benzofuran-2-yl)benzoic acid has a molecular weight of 274.22 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(7-fluoro-1-benzofuran-2-yl)benzoic acid is sourced from PubChem (CID 114731735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).