5-(4-fluorophenyl)-1,2,5,6-tetrahydroindolizine-3,7-dione

C14H12FNO2 — CID 67463863

IUPAC5-(4-fluorophenyl)-1,2,5,6-tetrahydroindolizine-3,7-dione
SMILESO=C1C=C2CCC(=O)N2C(c2ccc(F)cc2)C1
InChIInChI=1S/C14H12FNO2/c15-10-3-1-9(2-4-10)13-8-12(17)7-11-5-6-14(18)16(11)13/h1-4,7,13H,5-6,8H2
InChIKeyRYRGIEGEVDWYEC-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.35
Rot. Bonds1

About 5-(4-fluorophenyl)-1,2,5,6-tetrahydroindolizine-3,7-dione

5-(4-fluorophenyl)-1,2,5,6-tetrahydroindolizine-3,7-dione (PubChem CID 67463863) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1,2,5,6-tetrahydroindolizine-3,7-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1,2,5,6-tetrahydroindolizine-3,7-dione
PubChem CID67463863
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name5-(4-fluorophenyl)-1,2,5,6-tetrahydroindolizine-3,7-dione
SMILESO=C1C=C2CCC(=O)N2C(c2ccc(F)cc2)C1
InChIInChI=1S/C14H12FNO2/c15-10-3-1-9(2-4-10)13-8-12(17)7-11-5-6-14(18)16(11)13/h1-4,7,13H,5-6,8H2
InChIKeyRYRGIEGEVDWYEC-UHFFFAOYSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1,2,5,6-tetrahydroindolizine-3,7-dione?
The IUPAC name of 5-(4-fluorophenyl)-1,2,5,6-tetrahydroindolizine-3,7-dione (CID 67463863) is 5-(4-fluorophenyl)-1,2,5,6-tetrahydroindolizine-3,7-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-1,2,5,6-tetrahydroindolizine-3,7-dione?
The canonical SMILES for 5-(4-fluorophenyl)-1,2,5,6-tetrahydroindolizine-3,7-dione is O=C1C=C2CCC(=O)N2C(c2ccc(F)cc2)C1.
What is the InChIKey of 5-(4-fluorophenyl)-1,2,5,6-tetrahydroindolizine-3,7-dione?
The InChIKey is RYRGIEGEVDWYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-10-3-1-9(2-4-10)13-8-12(17)7-11-5-6-14(18)16(11)13/h1-4,7,13H,5-6,8H2.
What are the key properties of 5-(4-fluorophenyl)-1,2,5,6-tetrahydroindolizine-3,7-dione?
5-(4-fluorophenyl)-1,2,5,6-tetrahydroindolizine-3,7-dione has a molecular weight of 245.25 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1,2,5,6-tetrahydroindolizine-3,7-dione is sourced from PubChem (CID 67463863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).