2-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-indol-7-one

C10H10F3NO — CID 159449276

IUPAC2-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-indol-7-one
SMILESCC1CC2=C(C(=O)CC=C2)N1C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-6-5-7-3-2-4-8(15)9(7)14(6)10(11,12)13/h2-3,6H,4-5H2,1H3
InChIKeyLTDSRJYJDDVLPX-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.38
Rot. Bonds

About 2-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-indol-7-one

2-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-indol-7-one (PubChem CID 159449276) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-indol-7-one.

Molecular Properties

Compound Name2-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-indol-7-one
PubChem CID159449276
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name2-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-indol-7-one
SMILESCC1CC2=C(C(=O)CC=C2)N1C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-6-5-7-3-2-4-8(15)9(7)14(6)10(11,12)13/h2-3,6H,4-5H2,1H3
InChIKeyLTDSRJYJDDVLPX-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(1,6-dipropyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone
CID 102429593
1-(4,4,4-Trifluorobutyl)-6,7-dihydroindole-2,3-dione
CID 69108981
1-[6-(difluoromethyl)-2,3-dimethyl-3H-isoquinolin-1-yl]prop-2-en-1-one
CID 91497542
1-[2-ethyl-1-methyl-4-(trifluoromethyl)-2H-pyridin-6-yl]propan-1-one
CID 123698460
1-[1,6-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethanone
CID 171107529
1-pentyl-6,7-dihydro-2H-indol-3-one
CID 67760390

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-indol-7-one?
The IUPAC name of 2-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-indol-7-one (CID 159449276) is 2-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-indol-7-one.
What is the SMILES notation for 2-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-indol-7-one?
The canonical SMILES for 2-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-indol-7-one is CC1CC2=C(C(=O)CC=C2)N1C(F)(F)F.
What is the InChIKey of 2-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-indol-7-one?
The InChIKey is LTDSRJYJDDVLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-6-5-7-3-2-4-8(15)9(7)14(6)10(11,12)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-indol-7-one?
2-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-indol-7-one has a molecular weight of 217.19 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-indol-7-one is sourced from PubChem (CID 159449276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).