2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid

C8H12FNO2 — CID 146035783

IUPAC2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
SMILESO=C(O)C12CCCN1CC(F)C2
InChIInChI=1S/C8H12FNO2/c9-6-4-8(7(11)12)2-1-3-10(8)5-6/h6H,1-5H2,(H,11,12)
InChIKeyNNYSGPFPTKADCD-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.65
Rot. Bonds1

About 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid

2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid (PubChem CID 146035783) has the molecular formula C8H12FNO2 and a molecular weight of 173.19 g/mol. Its IUPAC name is 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
PubChem CID146035783
Molecular FormulaC8H12FNO2
Molecular Weight173.19 g/mol
Exact Mass173.09
IUPAC Name2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
SMILESO=C(O)C12CCCN1CC(F)C2
InChIInChI=1S/C8H12FNO2/c9-6-4-8(7(11)12)2-1-3-10(8)5-6/h6H,1-5H2,(H,11,12)
InChIKeyNNYSGPFPTKADCD-UHFFFAOYSA-N
XLogP0.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The IUPAC name of 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid (CID 146035783) is 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid.
What is the SMILES notation for 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The canonical SMILES for 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid is O=C(O)C12CCCN1CC(F)C2.
What is the InChIKey of 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The InChIKey is NNYSGPFPTKADCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO2/c9-6-4-8(7(11)12)2-1-3-10(8)5-6/h6H,1-5H2,(H,11,12).
What are the key properties of 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid has a molecular weight of 173.19 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid is sourced from PubChem (CID 146035783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).