3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid

C11H11FO3 — CID 81357256

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid
SMILESO=C(O)C(F)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C11H11FO3/c12-9(11(13)14)6-7-1-2-10-8(5-7)3-4-15-10/h1-2,5,9H,3-4,6H2,(H,13,14)
InChIKeyQFUXEBYWTRWOTL-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.59
Rot. Bonds3

About 3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid

3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid (PubChem CID 81357256) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid
PubChem CID81357256
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid
SMILESO=C(O)C(F)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C11H11FO3/c12-9(11(13)14)6-7-1-2-10-8(5-7)3-4-15-10/h1-2,5,9H,3-4,6H2,(H,13,14)
InChIKeyQFUXEBYWTRWOTL-UHFFFAOYSA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 62717626
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbutanoic acid
CID 116930721
2-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxyethanesulfonic acid
CID 59816088
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
(2S)-2-amino-3-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]propanoic acid
CID 172529875
1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine
CID 62722576
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propanoic acid
CID 43804240
2-cyclopropyl-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)acetic acid
CID 65059771
2-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanoic acid
CID 65067942
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 115164320
5-(2-isocyanobutyl)-2,3-dihydro-1-benzofuran
CID 176776889
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid (CID 81357256) is 3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid is O=C(O)C(F)Cc1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid?
The InChIKey is QFUXEBYWTRWOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c12-9(11(13)14)6-7-1-2-10-8(5-7)3-4-15-10/h1-2,5,9H,3-4,6H2,(H,13,14).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid?
3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid has a molecular weight of 210.20 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid is sourced from PubChem (CID 81357256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).