(5,7-difluoro-2,3-dihydroindol-1-yl)-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone

C17H12F3NO2 — CID 97013536

IUPAC(5,7-difluoro-2,3-dihydroindol-1-yl)-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone
SMILESO=C([C@@H]1Cc2cc(F)ccc2O1)N1CCc2cc(F)cc(F)c21
InChIInChI=1S/C17H12F3NO2/c18-11-1-2-14-10(6-11)7-15(23-14)17(22)21-4-3-9-5-12(19)8-13(20)16(9)21/h1-2,5-6,8,15H,3-4,7H2/t15-/m0/s1
InChIKeyUJTSYSFBSVVEHB-HNNXBMFYSA-N
MW319.28 g/mol
LogP3.00
Rot. Bonds1

About (5,7-difluoro-2,3-dihydroindol-1-yl)-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone

(5,7-difluoro-2,3-dihydroindol-1-yl)-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone (PubChem CID 97013536) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is (5,7-difluoro-2,3-dihydroindol-1-yl)-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Name(5,7-difluoro-2,3-dihydroindol-1-yl)-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone
PubChem CID97013536
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name(5,7-difluoro-2,3-dihydroindol-1-yl)-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone
SMILESO=C([C@@H]1Cc2cc(F)ccc2O1)N1CCc2cc(F)cc(F)c21
InChIInChI=1S/C17H12F3NO2/c18-11-1-2-14-10(6-11)7-15(23-14)17(22)21-4-3-9-5-12(19)8-13(20)16(9)21/h1-2,5-6,8,15H,3-4,7H2/t15-/m0/s1
InChIKeyUJTSYSFBSVVEHB-HNNXBMFYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,7-difluoro-2,3-dihydroindol-1-yl)-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone?
The IUPAC name of (5,7-difluoro-2,3-dihydroindol-1-yl)-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone (CID 97013536) is (5,7-difluoro-2,3-dihydroindol-1-yl)-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone.
What is the SMILES notation for (5,7-difluoro-2,3-dihydroindol-1-yl)-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone?
The canonical SMILES for (5,7-difluoro-2,3-dihydroindol-1-yl)-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone is O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCc2cc(F)cc(F)c21.
What is the InChIKey of (5,7-difluoro-2,3-dihydroindol-1-yl)-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone?
The InChIKey is UJTSYSFBSVVEHB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c18-11-1-2-14-10(6-11)7-15(23-14)17(22)21-4-3-9-5-12(19)8-13(20)16(9)21/h1-2,5-6,8,15H,3-4,7H2/t15-/m0/s1.
What are the key properties of (5,7-difluoro-2,3-dihydroindol-1-yl)-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone?
(5,7-difluoro-2,3-dihydroindol-1-yl)-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone has a molecular weight of 319.28 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-difluoro-2,3-dihydroindol-1-yl)-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 97013536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).