6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid

C8H9F2NO3 — CID 162393738

IUPAC6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid
SMILESO=C1CCC2(C(=O)O)CC(F)(F)CN12
InChIInChI=1S/C8H9F2NO3/c9-8(10)3-7(6(13)14)2-1-5(12)11(7)4-8/h1-4H2,(H,13,14)
InChIKeyHIOLXRACWIAYLH-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.47
Rot. Bonds1

About 6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid

6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid (PubChem CID 162393738) has the molecular formula C8H9F2NO3 and a molecular weight of 205.16 g/mol. Its IUPAC name is 6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid.

Molecular Properties

Compound Name6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid
PubChem CID162393738
Molecular FormulaC8H9F2NO3
Molecular Weight205.16 g/mol
Exact Mass205.06
IUPAC Name6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid
SMILESO=C1CCC2(C(=O)O)CC(F)(F)CN12
InChIInChI=1S/C8H9F2NO3/c9-8(10)3-7(6(13)14)2-1-5(12)11(7)4-8/h1-4H2,(H,13,14)
InChIKeyHIOLXRACWIAYLH-UHFFFAOYSA-N
XLogP0.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid?
The IUPAC name of 6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid (CID 162393738) is 6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid.
What is the SMILES notation for 6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid?
The canonical SMILES for 6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid is O=C1CCC2(C(=O)O)CC(F)(F)CN12.
What is the InChIKey of 6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid?
The InChIKey is HIOLXRACWIAYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3/c9-8(10)3-7(6(13)14)2-1-5(12)11(7)4-8/h1-4H2,(H,13,14).
What are the key properties of 6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid?
6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid has a molecular weight of 205.16 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-3-oxo-1,2,5,7-tetrahydropyrrolizine-8-carboxylic acid is sourced from PubChem (CID 162393738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).