5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one

C10H6F3NO2 — CID 80503823

IUPAC5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)C(F)(F)F)ccc2N1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)9(16)5-1-2-7-6(3-5)4-8(15)14-7/h1-3H,4H2,(H,14,15)
InChIKeyKHIHYWUNJVUVAR-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.93
Rot. Bonds1

About 5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one

5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one (PubChem CID 80503823) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one
PubChem CID80503823
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)C(F)(F)F)ccc2N1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)9(16)5-1-2-7-6(3-5)4-8(15)14-7/h1-3H,4H2,(H,14,15)
InChIKeyKHIHYWUNJVUVAR-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one
CID 103309352
5-(3,5-difluorobenzoyl)-1,3-dihydroindol-2-one
CID 43338600
2-oxo-1,3-dihydroindole-5-carbonyl cyanide
CID 116918958
5-(cyclopentanecarbonyl)-1,3-dihydroindol-2-one
CID 43160619
4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712522
5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one
CID 116826431
5-[2-(4-fluorophenyl)acetyl]-1,3-dihydroindol-2-one
CID 43338576
5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one
CID 65018582
2-methyl-3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116918199
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one (CID 80503823) is 5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)C(F)(F)F)ccc2N1.
What is the InChIKey of 5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one?
The InChIKey is KHIHYWUNJVUVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-10(12,13)9(16)5-1-2-7-6(3-5)4-8(15)14-7/h1-3H,4H2,(H,14,15).
What are the key properties of 5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one?
5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one has a molecular weight of 229.16 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 80503823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).