(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid

C8H12FNO2 — CID 154810159

IUPAC(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
SMILESO=C(O)[C@@]12CCCN1C[C@H](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)/t6-,8+/m1/s1
InChIKeyNNYSGPFPTKADCD-SVRRBLITSA-N
MW173.19 g/mol
LogP0.65
Rot. Bonds1

About (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid

(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid (PubChem CID 154810159) has the molecular formula C8H12FNO2 and a molecular weight of 173.19 g/mol. Its IUPAC name is (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid.

Molecular Properties

Compound Name(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
PubChem CID154810159
Molecular FormulaC8H12FNO2
Molecular Weight173.19 g/mol
Exact Mass173.09
IUPAC Name(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
SMILESO=C(O)[C@@]12CCCN1C[C@H](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)/t6-,8+/m1/s1
InChIKeyNNYSGPFPTKADCD-SVRRBLITSA-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 (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The IUPAC name of (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid (CID 154810159) is (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid.
What is the SMILES notation for (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The canonical SMILES for (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid is O=C(O)[C@@]12CCCN1C[C@H](F)C2.
What is the InChIKey of (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
The InChIKey is NNYSGPFPTKADCD-SVRRBLITSA-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)/t6-,8+/m1/s1.
What are the key properties of (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid?
(2R,8S)-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 (2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid is sourced from PubChem (CID 154810159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).