3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one

C15H16F3NO2 — CID 106986949

IUPAC3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one
SMILESCC1CCC(C2C(=O)Nc3c(OC(F)(F)F)cccc32)C1
InChIInChI=1S/C15H16F3NO2/c1-8-5-6-9(7-8)12-10-3-2-4-11(21-15(16,17)18)13(10)19-14(12)20/h2-4,8-9,12H,5-7H2,1H3,(H,19,20)
InChIKeyHGDOSEQMGCHNKA-UHFFFAOYSA-N
MW299.29 g/mol
LogP4.06
Rot. Bonds2

About 3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one

3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one (PubChem CID 106986949) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one
PubChem CID106986949
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one
SMILESCC1CCC(C2C(=O)Nc3c(OC(F)(F)F)cccc32)C1
InChIInChI=1S/C15H16F3NO2/c1-8-5-6-9(7-8)12-10-3-2-4-11(21-15(16,17)18)13(10)19-14(12)20/h2-4,8-9,12H,5-7H2,1H3,(H,19,20)
InChIKeyHGDOSEQMGCHNKA-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986686
3-(4-methylpentan-2-yl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one
CID 106986664
3-cyclohexyl-7-methyl-1,3-dihydroindol-2-one
CID 82081633
5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986680
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;ethane
CID 142540994
4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
CID 169499137
7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986588
3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine
CID 115375237
4-[2-(trifluoromethoxy)phenyl]piperidine
CID 58808055
2-methyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 154531292
2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81415007
3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one
CID 106702156

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one (CID 106986949) is 3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one is CC1CCC(C2C(=O)Nc3c(OC(F)(F)F)cccc32)C1.
What is the InChIKey of 3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one?
The InChIKey is HGDOSEQMGCHNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-8-5-6-9(7-8)12-10-3-2-4-11(21-15(16,17)18)13(10)19-14(12)20/h2-4,8-9,12H,5-7H2,1H3,(H,19,20).
What are the key properties of 3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one?
3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one has a molecular weight of 299.29 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).