3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one

C14H16F3NO — CID 102133533

IUPAC3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one
SMILESCC(C)N1C(=O)C(C)(CC(F)(F)F)c2ccccc21
InChIInChI=1S/C14H16F3NO/c1-9(2)18-11-7-5-4-6-10(11)13(3,12(18)19)8-14(15,16)17/h4-7,9H,8H2,1-3H3
InChIKeyJLZTYNYDALCMDX-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.65
Rot. Bonds2

About 3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one

3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one (PubChem CID 102133533) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one
PubChem CID102133533
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one
SMILESCC(C)N1C(=O)C(C)(CC(F)(F)F)c2ccccc21
InChIInChI=1S/C14H16F3NO/c1-9(2)18-11-7-5-4-6-10(11)13(3,12(18)19)8-14(15,16)17/h4-7,9H,8H2,1-3H3
InChIKeyJLZTYNYDALCMDX-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-3-(2,2,2-trifluoroethyl)quinoline-2,4-dione
CID 132534451
2,2,2-trifluoro-N-[(3S)-2-oxo-1-propan-2-yl-3-(trifluoromethyl)indol-3-yl]acetamide
CID 7014768
3-hydroxy-3-(2-methylbut-3-en-2-yl)-1-propan-2-ylindol-2-one
CID 122371977
1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 69193884
3,3-dimethyl-1-(2,2,2-trifluoroethyl)indol-2-one;ethane
CID 157034638
3,3-dimethyl-1,4-di(propan-2-yl)indol-2-one
CID 171748299
1,3,4,4-tetra(propan-2-yl)quinazolin-2-one
CID 18685234
2,2-dimethyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 117007549
1,2,2,3-tetramethyl-3-(2,2,2-trifluoroethyl)indole
CID 175173541
3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-3-methyl-1-(4-methylphenyl)sulfonylindol-2-one
CID 102140963
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
3-(2-hydroxybutyl)-1,3-dimethylindol-2-one
CID 102528889

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one?
The IUPAC name of 3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one (CID 102133533) is 3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one.
What is the SMILES notation for 3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one?
The canonical SMILES for 3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one is CC(C)N1C(=O)C(C)(CC(F)(F)F)c2ccccc21.
What is the InChIKey of 3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one?
The InChIKey is JLZTYNYDALCMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-9(2)18-11-7-5-4-6-10(11)13(3,12(18)19)8-14(15,16)17/h4-7,9H,8H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one?
3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one has a molecular weight of 271.28 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one is sourced from PubChem (CID 102133533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).