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

C14H16FNO2 — CID 143583408

IUPAC1-(4-fluorophenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1CC(O)CC2C(c3ccc(F)cc3)CCN12
InChIInChI=1S/C14H16FNO2/c15-10-3-1-9(2-4-10)12-5-6-16-13(12)7-11(17)8-14(16)18/h1-4,11-13,17H,5-8H2
InChIKeyCUIJAMVZTHBDPS-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.66
Rot. Bonds1

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

1-(4-fluorophenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 143583408) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID143583408
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name1-(4-fluorophenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1CC(O)CC2C(c3ccc(F)cc3)CCN12
InChIInChI=1S/C14H16FNO2/c15-10-3-1-9(2-4-10)12-5-6-16-13(12)7-11(17)8-14(16)18/h1-4,11-13,17H,5-8H2
InChIKeyCUIJAMVZTHBDPS-UHFFFAOYSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7R,8R,8aS)-7-(hydroxymethyl)-8-phenylselanyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 15870485
1-[(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 97470085
1-[(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 97470102
2-(3-Fluorophenyl)-1-(4-hydroxy-octahydro-1H-isoindol-2-YL)ethan-1-one
CID 132335297
5-(4-Fluorophenyl)-7-hydroxyhexahydroindolizin-3-one
CID 67461439
5-(3,4-Difluorophenyl)-7-hydroxyhexahydroindolizin-3-one
CID 67464923
1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 67549006
1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid
CID 69404921
5-[[4-(3-Fluorophenyl)phenyl]methyl]-3-(hydroxymethyl)-1-methylpyrrolidin-2-one
CID 123401988
(1S,8aS)-1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 141128956
(1R,2S,7R,8S)-3-[(4-fluorophenyl)methyl]-6-hydroxy-3-azatricyclo[6.2.1.02,7]undecan-4-one
CID 141221363
3-[(4-Fluorophenyl)methyl]-6-hydroxy-3-azatricyclo[6.2.1.02,7]undecan-4-one
CID 141221367

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of 1-(4-fluorophenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 143583408) is 1-(4-fluorophenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for 1-(4-fluorophenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for 1-(4-fluorophenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is O=C1CC(O)CC2C(c3ccc(F)cc3)CCN12.
What is the InChIKey of 1-(4-fluorophenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is CUIJAMVZTHBDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-10-3-1-9(2-4-10)12-5-6-16-13(12)7-11(17)8-14(16)18/h1-4,11-13,17H,5-8H2.
What are the key properties of 1-(4-fluorophenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
1-(4-fluorophenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 249.28 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 143583408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).