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

C9H16FN — CID 163256465

IUPAC(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC[C@]12CCCN1C[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-/m1/s1
InChIKeyFHRHYIZWASVAKH-RKDXNWHRSA-N
MW157.23 g/mol
LogP1.97
Rot. Bonds1

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

(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 163256465) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID163256465
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC[C@]12CCCN1C[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-/m1/s1
InChIKeyFHRHYIZWASVAKH-RKDXNWHRSA-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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Related Compounds

benzene;ethane;(8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;fluoromethane
CID 177213011
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 118109098
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 118109110
(2S,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878427
(2R,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903949
ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 177010029
benzene;[(2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;fluoromethane
CID 177213305
8-(3,3-dimethylbutyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 176778512
O-[[(2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine
CID 176690420
ethane;[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethanol
CID 170771438
1-[(8S)-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanone
CID 172577752
8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride
CID 168881533

Frequently Asked Questions

What is the IUPAC name of (2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (CID 163256465) is (2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is CC[C@]12CCCN1C[C@H](F)C2.
What is the InChIKey of (2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is FHRHYIZWASVAKH-RKDXNWHRSA-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-/m1/s1.
What are the key properties of (2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
(2R,8R)-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 (2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 163256465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).