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

C10H12FNO — CID 145172225

IUPAC1-(fluoromethyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one
SMILESCc1ccc2n(c1=O)CCC2CF
InChIInChI=1S/C10H12FNO/c1-7-2-3-9-8(6-11)4-5-12(9)10(7)13/h2-3,8H,4-6H2,1H3
InChIKeyRBVRVSHDLUDVQF-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.61
Rot. Bonds1

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

1-(fluoromethyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 145172225) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-(fluoromethyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name1-(fluoromethyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one
PubChem CID145172225
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-(fluoromethyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one
SMILESCc1ccc2n(c1=O)CCC2CF
InChIInChI=1S/C10H12FNO/c1-7-2-3-9-8(6-11)4-5-12(9)10(7)13/h2-3,8H,4-6H2,1H3
InChIKeyRBVRVSHDLUDVQF-UHFFFAOYSA-N
XLogP1.61
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(fluoromethyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 1-(fluoromethyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one (CID 145172225) is 1-(fluoromethyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 1-(fluoromethyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 1-(fluoromethyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one is Cc1ccc2n(c1=O)CCC2CF.
What is the InChIKey of 1-(fluoromethyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is RBVRVSHDLUDVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7-2-3-9-8(6-11)4-5-12(9)10(7)13/h2-3,8H,4-6H2,1H3.
What are the key properties of 1-(fluoromethyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one?
1-(fluoromethyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 181.21 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 145172225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).