(2S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine

C9H16FN — CID 163256476

IUPAC(2S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCC12CCCN1C[C@@H](F)C2
InChIInChI=1S/C9H16FN/c1-2-9-4-3-5-11(9)7-8(10)6-9/h8H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyFHRHYIZWASVAKH-IENPIDJESA-N
MW157.23 g/mol
LogP1.97
Rot. Bonds1

About (2S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine

(2S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 163256476) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (2S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(2S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID163256476
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(2S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCC12CCCN1C[C@@H](F)C2
InChIInChI=1S/C9H16FN/c1-2-9-4-3-5-11(9)7-8(10)6-9/h8H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyFHRHYIZWASVAKH-IENPIDJESA-N
XLogP1.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (2S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (CID 163256476) is (2S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (2S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (2S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is CCC12CCCN1C[C@@H](F)C2.
What is the InChIKey of (2S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is FHRHYIZWASVAKH-IENPIDJESA-N. The full InChI is InChI=1S/C9H16FN/c1-2-9-4-3-5-11(9)7-8(10)6-9/h8H,2-7H2,1H3/t8-,9?/m0/s1.
What are the key properties of (2S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
(2S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 157.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 163256476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).