6,6-dimethyl-3-(trifluoromethyl)-1-tri(propan-2-yl)silyl-5,7-dihydroindol-4-one

C20H32F3NOSi — CID 168842271

IUPAC6,6-dimethyl-3-(trifluoromethyl)-1-tri(propan-2-yl)silyl-5,7-dihydroindol-4-one
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C(F)(F)F)c2c1CC(C)(C)CC2=O
InChIInChI=1S/C20H32F3NOSi/c1-12(2)26(13(3)4,14(5)6)24-11-15(20(21,22)23)18-16(24)9-19(7,8)10-17(18)25/h11-14H,9-10H2,1-8H3
InChIKeyPUGYMXARRMZSCH-UHFFFAOYSA-N
MW387.56 g/mol
LogP6.69
Rot. Bonds4

About 6,6-dimethyl-3-(trifluoromethyl)-1-tri(propan-2-yl)silyl-5,7-dihydroindol-4-one

6,6-dimethyl-3-(trifluoromethyl)-1-tri(propan-2-yl)silyl-5,7-dihydroindol-4-one (PubChem CID 168842271) has the molecular formula C20H32F3NOSi and a molecular weight of 387.56 g/mol. Its IUPAC name is 6,6-dimethyl-3-(trifluoromethyl)-1-tri(propan-2-yl)silyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-3-(trifluoromethyl)-1-tri(propan-2-yl)silyl-5,7-dihydroindol-4-one
PubChem CID168842271
Molecular FormulaC20H32F3NOSi
Molecular Weight387.56 g/mol
Exact Mass387.22
IUPAC Name6,6-dimethyl-3-(trifluoromethyl)-1-tri(propan-2-yl)silyl-5,7-dihydroindol-4-one
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C(F)(F)F)c2c1CC(C)(C)CC2=O
InChIInChI=1S/C20H32F3NOSi/c1-12(2)26(13(3)4,14(5)6)24-11-15(20(21,22)23)18-16(24)9-19(7,8)10-17(18)25/h11-14H,9-10H2,1-8H3
InChIKeyPUGYMXARRMZSCH-UHFFFAOYSA-N
XLogP6.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.56
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindol-1-yl]-2-fluoro-6-(oxolan-3-ylamino)benzonitrile
CID 68720414
8,8-dimethyl-2-(trifluoromethyl)-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505586
3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one
CID 624659
6,6-dimethyl-3-methylsulfanyl-1-pyridin-2-yl-5,7-dihydroindol-4-one
CID 22461299
1-(2-chlorophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
CID 607612
2,5,8,8-tetramethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one
CID 47001193
[(1S,2S)-2-[2-carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindol-1-yl]-3-fluoroanilino]cyclohexyl] 2-aminoacetate
CID 59828647
4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[[(2R)-2-hydroxypropyl]amino]benzonitrile
CID 68720876
2-amino-4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]benzamide
CID 70283154
4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-(2-hydroxypropylamino)benzamide
CID 68719371
1-(2,5-dichlorophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
CID 5091282
6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one
CID 70121924

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(trifluoromethyl)-1-tri(propan-2-yl)silyl-5,7-dihydroindol-4-one?
The IUPAC name of 6,6-dimethyl-3-(trifluoromethyl)-1-tri(propan-2-yl)silyl-5,7-dihydroindol-4-one (CID 168842271) is 6,6-dimethyl-3-(trifluoromethyl)-1-tri(propan-2-yl)silyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 6,6-dimethyl-3-(trifluoromethyl)-1-tri(propan-2-yl)silyl-5,7-dihydroindol-4-one?
The canonical SMILES for 6,6-dimethyl-3-(trifluoromethyl)-1-tri(propan-2-yl)silyl-5,7-dihydroindol-4-one is CC(C)[Si](C(C)C)(C(C)C)n1cc(C(F)(F)F)c2c1CC(C)(C)CC2=O.
What is the InChIKey of 6,6-dimethyl-3-(trifluoromethyl)-1-tri(propan-2-yl)silyl-5,7-dihydroindol-4-one?
The InChIKey is PUGYMXARRMZSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F3NOSi/c1-12(2)26(13(3)4,14(5)6)24-11-15(20(21,22)23)18-16(24)9-19(7,8)10-17(18)25/h11-14H,9-10H2,1-8H3.
What are the key properties of 6,6-dimethyl-3-(trifluoromethyl)-1-tri(propan-2-yl)silyl-5,7-dihydroindol-4-one?
6,6-dimethyl-3-(trifluoromethyl)-1-tri(propan-2-yl)silyl-5,7-dihydroindol-4-one has a molecular weight of 387.56 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-(trifluoromethyl)-1-tri(propan-2-yl)silyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 168842271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).