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

C15H10F3NO2S — CID 25023801

IUPAC1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCc2ccccc21
InChIInChI=1S/C15H10F3NO2S/c16-15(17,18)13(20)11-5-6-12(22-11)14(21)19-8-7-9-3-1-2-4-10(9)19/h1-6H,7-8H2
InChIKeyFPQZFCVFBLEELM-UHFFFAOYSA-N
MW325.31 g/mol
LogP3.70
Rot. Bonds2

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

1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone (PubChem CID 25023801) has the molecular formula C15H10F3NO2S and a molecular weight of 325.31 g/mol. Its IUPAC name is 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone
PubChem CID25023801
Molecular FormulaC15H10F3NO2S
Molecular Weight325.31 g/mol
Exact Mass325.04
IUPAC Name1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCc2ccccc21
InChIInChI=1S/C15H10F3NO2S/c16-15(17,18)13(20)11-5-6-12(22-11)14(21)19-8-7-9-3-1-2-4-10(9)19/h1-6H,7-8H2
InChIKeyFPQZFCVFBLEELM-UHFFFAOYSA-N
XLogP3.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Benzothiophen-2-ylmethyl)-5-iodo-indoline-2,3-dione
CID 11796320
1-(2-thienylmethyl)-1H-indole-2,3-dione
CID 2996126
1-[5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2-yl]-2,2-difluoroethan-1-one
CID 25023808
Indolin-1-yl(5-nitrothiophen-2-yl)methanone
CID 4609811
1-[(5-Chloro-2-thienyl)carbonyl]indoline
CID 693000
1-[3-(2-Thienyl)acryloyl]indoline
CID 885474
1-(2-thienylcarbonyl)-2,3-dihydro-4(1H)-quinolinone
CID 683443
2,3-dihydro-1H-indol-1-yl[4-(isopropylsulfonyl)-5-(methylthio)-2-thienyl]methanone
CID 621938
3-(Thiophen-2-ylmethylene)indolin-2-one
CID 727529
1-Benzo[b]thiophen-2-ylmethyl-5-fluoro-1H-indole-2,3-dione
CID 44398207
(3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-methylindol-2-one
CID 2109452
1-methyl-3-[2-oxo-2-(2-thienyl)ethylidene]-1,3-dihydro-2H-indol-2-one
CID 2199895

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone (CID 25023801) is 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone is O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCc2ccccc21.
What is the InChIKey of 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone?
The InChIKey is FPQZFCVFBLEELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2S/c16-15(17,18)13(20)11-5-6-12(22-11)14(21)19-8-7-9-3-1-2-4-10(9)19/h1-6H,7-8H2.
What are the key properties of 1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone?
1-[5-(2,3-dihydroindole-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone has a molecular weight of 325.31 g/mol, XLogP of 3.70, 2 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]-2,2,2-trifluoroethanone is sourced from PubChem (CID 25023801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).