(3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid

C9H8FNO3 — CID 131128284

IUPAC(3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid
SMILESN[C@H]1COc2cc(F)cc(C(=O)O)c21
InChIInChI=1S/C9H8FNO3/c10-4-1-5(9(12)13)8-6(11)3-14-7(8)2-4/h1-2,6H,3,11H2,(H,12,13)/t6-/m0/s1
InChIKeyOMQVNJWRNBYBJR-LURJTMIESA-N
MW197.16 g/mol
LogP0.92
Rot. Bonds1

About (3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid

(3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid (PubChem CID 131128284) has the molecular formula C9H8FNO3 and a molecular weight of 197.16 g/mol. Its IUPAC name is (3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid
PubChem CID131128284
Molecular FormulaC9H8FNO3
Molecular Weight197.16 g/mol
Exact Mass197.05
IUPAC Name(3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid
SMILESN[C@H]1COc2cc(F)cc(C(=O)O)c21
InChIInChI=1S/C9H8FNO3/c10-4-1-5(9(12)13)8-6(11)3-14-7(8)2-4/h1-2,6H,3,11H2,(H,12,13)/t6-/m0/s1
InChIKeyOMQVNJWRNBYBJR-LURJTMIESA-N
XLogP0.92
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid?
The IUPAC name of (3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid (CID 131128284) is (3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid.
What is the SMILES notation for (3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid?
The canonical SMILES for (3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid is N[C@H]1COc2cc(F)cc(C(=O)O)c21.
What is the InChIKey of (3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid?
The InChIKey is OMQVNJWRNBYBJR-LURJTMIESA-N. The full InChI is InChI=1S/C9H8FNO3/c10-4-1-5(9(12)13)8-6(11)3-14-7(8)2-4/h1-2,6H,3,11H2,(H,12,13)/t6-/m0/s1.
What are the key properties of (3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid?
(3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid has a molecular weight of 197.16 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid is sourced from PubChem (CID 131128284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).