2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid

C10H9FO3 — CID 83818671

IUPAC2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid
SMILESO=C(O)CC1(F)COc2ccccc21
InChIInChI=1S/C10H9FO3/c11-10(5-9(12)13)6-14-8-4-2-1-3-7(8)10/h1-4H,5-6H2,(H,12,13)
InChIKeyULODZJNDJMMWAC-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.72
Rot. Bonds2

About 2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid

2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid (PubChem CID 83818671) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid
PubChem CID83818671
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid
SMILESO=C(O)CC1(F)COc2ccccc21
InChIInChI=1S/C10H9FO3/c11-10(5-9(12)13)6-14-8-4-2-1-3-7(8)10/h1-4H,5-6H2,(H,12,13)
InChIKeyULODZJNDJMMWAC-UHFFFAOYSA-N
XLogP1.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
CID 94425211
2-(2-fluoro-4-hydroxy-2-methyl-3H-chromen-4-yl)acetic acid
CID 154342529
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
3,3-dibromo-2H-1-benzofuran
CID 70451620
2-[3-methyl-4-(propylamino)-2,3-dihydrochromen-4-yl]acetic acid
CID 104524864
3,3-dimethyl-2H-1-benzofuran;ethanesulfonic acid
CID 158235546
2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid
CID 84790886
3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran
CID 132561835
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
(3R)-3-phenyl-2H-1-benzofuran-3-amine
CID 138979222
2H-1,4-benzodioxine-3,3-dicarboxylic acid
CID 70342696

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid?
The IUPAC name of 2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid (CID 83818671) is 2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid.
What is the SMILES notation for 2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid?
The canonical SMILES for 2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid is O=C(O)CC1(F)COc2ccccc21.
What is the InChIKey of 2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid?
The InChIKey is ULODZJNDJMMWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c11-10(5-9(12)13)6-14-8-4-2-1-3-7(8)10/h1-4H,5-6H2,(H,12,13).
What are the key properties of 2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid?
2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid has a molecular weight of 196.18 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid is sourced from PubChem (CID 83818671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).