(3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one

C17H11FO3 — CID 134959551

IUPAC(3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one
SMILESO=C1O[C@H]([C@]2(F)Cc3ccccc3C2=O)c2ccccc21
InChIInChI=1S/C17H11FO3/c18-17(9-10-5-1-2-6-11(10)14(17)19)15-12-7-3-4-8-13(12)16(20)21-15/h1-8,15H,9H2/t15-,17-/m0/s1
InChIKeyGJXRYEIRLYWQSX-RDJZCZTQSA-N
MW282.27 g/mol
LogP3.05
Rot. Bonds1

About (3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one

(3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one (PubChem CID 134959551) has the molecular formula C17H11FO3 and a molecular weight of 282.27 g/mol. Its IUPAC name is (3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one
PubChem CID134959551
Molecular FormulaC17H11FO3
Molecular Weight282.27 g/mol
Exact Mass282.07
IUPAC Name(3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one
SMILESO=C1O[C@H]([C@]2(F)Cc3ccccc3C2=O)c2ccccc21
InChIInChI=1S/C17H11FO3/c18-17(9-10-5-1-2-6-11(10)14(17)19)15-12-7-3-4-8-13(12)16(20)21-15/h1-8,15H,9H2/t15-,17-/m0/s1
InChIKeyGJXRYEIRLYWQSX-RDJZCZTQSA-N
XLogP3.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one
CID 736601
3-fluoro-3H-2-benzofuran-1-one
CID 10197780
spiro[3H-indene-2,4'-oxane]-1-one
CID 100741937
2,2-bis(trifluoromethyl)-3H-inden-1-one
CID 10015841
2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one
CID 11737107
2-fluoro-2-(2-methylpropyl)-3H-inden-1-one
CID 59717541
(2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one
CID 134956870
2-azido-2-fluoro-3H-inden-1-one
CID 176914009
(3S)-3-amino-3H-2-benzofuran-1-one
CID 163831945
3-(trifluoromethyl)-3H-2-benzofuran-1-one
CID 12546977
(1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one
CID 11616801
(2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one
CID 102246786

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one?
The IUPAC name of (3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one (CID 134959551) is (3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one.
What is the SMILES notation for (3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one?
The canonical SMILES for (3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one is O=C1O[C@H]([C@]2(F)Cc3ccccc3C2=O)c2ccccc21.
What is the InChIKey of (3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one?
The InChIKey is GJXRYEIRLYWQSX-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H11FO3/c18-17(9-10-5-1-2-6-11(10)14(17)19)15-12-7-3-4-8-13(12)16(20)21-15/h1-8,15H,9H2/t15-,17-/m0/s1.
What are the key properties of (3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one?
(3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one has a molecular weight of 282.27 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 134959551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).