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

C14H16FNO — CID 67549006

IUPAC1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1CCCC2C(c3ccc(F)cc3)CCN12
InChIInChI=1S/C14H16FNO/c15-11-6-4-10(5-7-11)12-8-9-16-13(12)2-1-3-14(16)17/h4-7,12-13H,1-3,8-9H2
InChIKeyUETFVUCBSKASGW-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.69
Rot. Bonds1

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

1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 67549006) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID67549006
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1CCCC2C(c3ccc(F)cc3)CCN12
InChIInChI=1S/C14H16FNO/c15-11-6-4-10(5-7-11)12-8-9-16-13(12)2-1-3-14(16)17/h4-7,12-13H,1-3,8-9H2
InChIKeyUETFVUCBSKASGW-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-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-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of 1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 67549006) is 1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for 1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is O=C1CCCC2C(c3ccc(F)cc3)CCN12.
What is the InChIKey of 1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is UETFVUCBSKASGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-11-6-4-10(5-7-11)12-8-9-16-13(12)2-1-3-14(16)17/h4-7,12-13H,1-3,8-9H2.
What are the key properties of 1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 233.29 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 67549006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).