1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2-difluoroethanone

C15H11F2NO2S — CID 25023808

IUPAC1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2-difluoroethanone
SMILESO=C(c1ccc(C(=O)N2CCc3ccccc32)s1)C(F)F
InChIInChI=1S/C15H11F2NO2S/c16-14(17)13(19)11-5-6-12(21-11)15(20)18-8-7-9-3-1-2-4-10(9)18/h1-6,14H,7-8H2
InChIKeyWZGNPOPOCGTSMZ-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.40
Rot. Bonds3

About 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2-difluoroethanone

1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2-difluoroethanone (PubChem CID 25023808) has the molecular formula C15H11F2NO2S and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2-difluoroethanone
PubChem CID25023808
Molecular FormulaC15H11F2NO2S
Molecular Weight307.32 g/mol
Exact Mass307.05
IUPAC Name1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2-difluoroethanone
SMILESO=C(c1ccc(C(=O)N2CCc3ccccc32)s1)C(F)F
InChIInChI=1S/C15H11F2NO2S/c16-14(17)13(19)11-5-6-12(21-11)15(20)18-8-7-9-3-1-2-4-10(9)18/h1-6,14H,7-8H2
InChIKeyWZGNPOPOCGTSMZ-UHFFFAOYSA-N
XLogP3.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2-difluoroethanone?
The IUPAC name of 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2-difluoroethanone (CID 25023808) is 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2-difluoroethanone.
What is the SMILES notation for 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2-difluoroethanone?
The canonical SMILES for 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2-difluoroethanone is O=C(c1ccc(C(=O)N2CCc3ccccc32)s1)C(F)F.
What is the InChIKey of 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2-difluoroethanone?
The InChIKey is WZGNPOPOCGTSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2S/c16-14(17)13(19)11-5-6-12(21-11)15(20)18-8-7-9-3-1-2-4-10(9)18/h1-6,14H,7-8H2.
What are the key properties of 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2-difluoroethanone?
1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2-difluoroethanone has a molecular weight of 307.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2-difluoroethanone is sourced from PubChem (CID 25023808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).