5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one

C12H7F6NO2 — CID 103309352

IUPAC5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)C(C(F)(F)F)C(F)(F)F)ccc2N1
InChIInChI=1S/C12H7F6NO2/c13-11(14,15)10(12(16,17)18)9(21)5-1-2-7-6(3-5)4-8(20)19-7/h1-3,10H,4H2,(H,19,20)
InChIKeyLZJKAKYILQYEQG-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.10
Rot. Bonds2

About 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one

5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one (PubChem CID 103309352) has the molecular formula C12H7F6NO2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one
PubChem CID103309352
Molecular FormulaC12H7F6NO2
Molecular Weight311.18 g/mol
Exact Mass311.04
IUPAC Name5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)C(C(F)(F)F)C(F)(F)F)ccc2N1
InChIInChI=1S/C12H7F6NO2/c13-11(14,15)10(12(16,17)18)9(21)5-1-2-7-6(3-5)4-8(20)19-7/h1-3,10H,4H2,(H,19,20)
InChIKeyLZJKAKYILQYEQG-UHFFFAOYSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one
CID 80503823
2-methyl-3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116918199
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one
CID 116923044
5-(3,5-difluorobenzoyl)-1,3-dihydroindol-2-one
CID 43338600
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 113429194
5-[2-(4-fluorophenyl)acetyl]-1,3-dihydroindol-2-one
CID 43338576
2-oxo-1,3-dihydroindole-5-carbonyl cyanide
CID 116918958
2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid
CID 82485441
4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82349945
methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate
CID 82349947
5-(cyclopentanecarbonyl)-1,3-dihydroindol-2-one
CID 43160619

Frequently Asked Questions

What is the IUPAC name of 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one (CID 103309352) is 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)C(C(F)(F)F)C(F)(F)F)ccc2N1.
What is the InChIKey of 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one?
The InChIKey is LZJKAKYILQYEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F6NO2/c13-11(14,15)10(12(16,17)18)9(21)5-1-2-7-6(3-5)4-8(20)19-7/h1-3,10H,4H2,(H,19,20).
What are the key properties of 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one?
5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one has a molecular weight of 311.18 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 103309352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).