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

C10H10F3NO — CID 59284256

IUPAC6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one
SMILESCc1c(C(F)(F)F)cc2n(c1=O)CCC2
InChIInChI=1S/C10H10F3NO/c1-6-8(10(11,12)13)5-7-3-2-4-14(7)9(6)15/h5H,2-4H2,1H3
InChIKeySAXPIEKBCYEGFK-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.12
Rot. Bonds

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

6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one (PubChem CID 59284256) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one
PubChem CID59284256
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one
SMILESCc1c(C(F)(F)F)cc2n(c1=O)CCC2
InChIInChI=1S/C10H10F3NO/c1-6-8(10(11,12)13)5-7-3-2-4-14(7)9(6)15/h5H,2-4H2,1H3
InChIKeySAXPIEKBCYEGFK-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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one (CID 59284256) is 6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one is Cc1c(C(F)(F)F)cc2n(c1=O)CCC2.
What is the InChIKey of 6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is SAXPIEKBCYEGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-6-8(10(11,12)13)5-7-3-2-4-14(7)9(6)15/h5H,2-4H2,1H3.
What are the key properties of 6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one?
6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-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-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 59284256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).