5-(3,4-difluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C14H15F2NO2 — CID 67464923

IUPAC5-(3,4-difluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1CCC2CC(O)CC(c3ccc(F)c(F)c3)N12
InChIInChI=1S/C14H15F2NO2/c15-11-3-1-8(5-12(11)16)13-7-10(18)6-9-2-4-14(19)17(9)13/h1,3,5,9-10,13,18H,2,4,6-7H2
InChIKeyJWJIYWIXPQGFBH-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.15
Rot. Bonds1

About 5-(3,4-difluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

5-(3,4-difluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 67464923) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID67464923
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name5-(3,4-difluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1CCC2CC(O)CC(c3ccc(F)c(F)c3)N12
InChIInChI=1S/C14H15F2NO2/c15-11-3-1-8(5-12(11)16)13-7-10(18)6-9-2-4-14(19)17(9)13/h1,3,5,9-10,13,18H,2,4,6-7H2
InChIKeyJWJIYWIXPQGFBH-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of 5-(3,4-difluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 67464923) is 5-(3,4-difluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for 5-(3,4-difluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for 5-(3,4-difluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is O=C1CCC2CC(O)CC(c3ccc(F)c(F)c3)N12.
What is the InChIKey of 5-(3,4-difluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is JWJIYWIXPQGFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c15-11-3-1-8(5-12(11)16)13-7-10(18)6-9-2-4-14(19)17(9)13/h1,3,5,9-10,13,18H,2,4,6-7H2.
What are the key properties of 5-(3,4-difluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
5-(3,4-difluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 267.27 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 67464923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).