6-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-indolizin-7-one

C10H10F3NO — CID 59284024

IUPAC6-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-indolizin-7-one
SMILESCc1c(C(F)(F)F)n2c(cc1=O)CCC2
InChIInChI=1S/C10H10F3NO/c1-6-8(15)5-7-3-2-4-14(7)9(6)10(11,12)13/h5H,2-4H2,1H3
InChIKeyJGHLOWVKJNOIGX-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.12
Rot. Bonds

About 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-indolizin-7-one

6-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-indolizin-7-one (PubChem CID 59284024) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-indolizin-7-one.

Molecular Properties

Compound Name6-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-indolizin-7-one
PubChem CID59284024
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name6-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-indolizin-7-one
SMILESCc1c(C(F)(F)F)n2c(cc1=O)CCC2
InChIInChI=1S/C10H10F3NO/c1-6-8(15)5-7-3-2-4-14(7)9(6)10(11,12)13/h5H,2-4H2,1H3
InChIKeyJGHLOWVKJNOIGX-UHFFFAOYSA-N
XLogP2.12
TPSA22.00 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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydro-1-methyl-1H-indole-5,6-dione
CID 12309613
2-(Difluoromethyl)-1,5-dimethylpyridin-4-one
CID 59818294
1,5-Dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one
CID 68223764
1,2,3-Trimethyl-6-(2,2,2-trifluoroethyl)pyridin-4-one
CID 68223766
2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one
CID 70935168
1-(2,2-Difluoroethyl)-2,5-dimethylpyridin-4-one
CID 89114534
1,5-Dimethyl-2-(trifluoromethyl)pyridin-4-one;ethane
CID 170583132
2,3,5,6-Tetrahydroindolizin-7(1H)-one
CID 13587400
(E)-1,1,1-trifluoro-4-pyrrolidin-1-ylpent-3-en-2-one
CID 8003273
1,5-Dimethyl-2-(trifluoromethyl)pyridin-4-one
CID 15836686
1,1,1-Trifluoro-4-pyrrolidin-1-ylpent-3-en-2-one
CID 78591676
3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopent-2-en-1-one
CID 114490047

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-indolizin-7-one?
The IUPAC name of 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-indolizin-7-one (CID 59284024) is 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-indolizin-7-one.
What is the SMILES notation for 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-indolizin-7-one?
The canonical SMILES for 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-indolizin-7-one is Cc1c(C(F)(F)F)n2c(cc1=O)CCC2.
What is the InChIKey of 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-indolizin-7-one?
The InChIKey is JGHLOWVKJNOIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-6-8(15)5-7-3-2-4-14(7)9(6)10(11,12)13/h5H,2-4H2,1H3.
What are the key properties of 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-indolizin-7-one?
6-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-indolizin-7-one has a molecular weight of 217.19 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-indolizin-7-one is sourced from PubChem (CID 59284024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).