6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione

C11H14F3NO2 — CID 154171176

IUPAC6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione
SMILESCC1(C)CC(=O)C2C(C1)NC(=O)C2C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-10(2)3-5-7(6(16)4-10)8(9(17)15-5)11(12,13)14/h5,7-8H,3-4H2,1-2H3,(H,15,17)
InChIKeyXCEYTZPDSNSOFV-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.67
Rot. Bonds

About 6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione

6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione (PubChem CID 154171176) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione.

Molecular Properties

Compound Name6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione
PubChem CID154171176
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione
SMILESCC1(C)CC(=O)C2C(C1)NC(=O)C2C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-10(2)3-5-7(6(16)4-10)8(9(17)15-5)11(12,13)14/h5,7-8H,3-4H2,1-2H3,(H,15,17)
InChIKeyXCEYTZPDSNSOFV-UHFFFAOYSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

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CID 129413196
3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one
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CID 135121547
(3aR,7aR)-3-(dimethylamino)-6,6-dimethyl-3a,5,7,7a-tetrahydro-1H-indazol-4-one
CID 124679179
3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione;zinc
CID 175254452
(3aS,7aS)-3-(diethylamino)-6,6-dimethyl-3a,5,7,7a-tetrahydro-1H-indazol-4-one
CID 124679000
5,6-bis(trifluoromethyl)-1,3-diazinane-2,4-dione
CID 76595213
(3aS,7aR)-6,6-dimethyl-3-[3-(trifluoromethyl)phenyl]-3a,5,7,7a-tetrahydro-1H-indazol-4-one
CID 124679047
9-(butylamino)-3,3-dimethyl-2,4,4a,5,6,7,8,8a,9,9a,10,10a-dodecahydroacridin-1-one
CID 163169850
(3aS,7aR)-3-(2-fluorophenyl)-6,6-dimethyl-3a,5,7,7a-tetrahydro-1H-indazol-4-one
CID 124679109
4-(4-bromophenyl)-3-(4-chlorophenyl)-7,7-dimethyl-4,4a,6,8,8a,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-one
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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione?
The IUPAC name of 6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione (CID 154171176) is 6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione.
What is the SMILES notation for 6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione?
The canonical SMILES for 6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione is CC1(C)CC(=O)C2C(C1)NC(=O)C2C(F)(F)F.
What is the InChIKey of 6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione?
The InChIKey is XCEYTZPDSNSOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-10(2)3-5-7(6(16)4-10)8(9(17)15-5)11(12,13)14/h5,7-8H,3-4H2,1-2H3,(H,15,17).
What are the key properties of 6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione?
6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione has a molecular weight of 249.23 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-(trifluoromethyl)-1,3,3a,5,7,7a-hexahydroindole-2,4-dione is sourced from PubChem (CID 154171176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).