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

C9H14FN — CID 177095504

IUPAC(8S)-8-ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine
SMILESCC[C@]12C=C(F)CN1CCC2
InChIInChI=1S/C9H14FN/c1-2-9-4-3-5-11(9)7-8(10)6-9/h6H,2-5,7H2,1H3/t9-/m0/s1
InChIKeyBLCJAZSGRDAWRG-VIFPVBQESA-N
MW155.22 g/mol
LogP2.10
Rot. Bonds1

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

(8S)-8-ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine (PubChem CID 177095504) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (8S)-8-ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine.

Molecular Properties

Compound Name(8S)-8-ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine
PubChem CID177095504
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(8S)-8-ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine
SMILESCC[C@]12C=C(F)CN1CCC2
InChIInChI=1S/C9H14FN/c1-2-9-4-3-5-11(9)7-8(10)6-9/h6H,2-5,7H2,1H3/t9-/m0/s1
InChIKeyBLCJAZSGRDAWRG-VIFPVBQESA-N
XLogP2.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene
CID 118940548
7-Fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
CID 163418061
7-Fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
CID 163614743
6-Fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
CID 163977858
2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 164922407
2-[(2Z,5Z)-5-[(Z)-1,2-difluoroethenyl]-3-methylnona-2,5-dien-2-yl]-1,2-dimethylpyrrolidine
CID 166651561
8-Ethyl-7-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 166984255
6-Fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
CID 166984259
6-Fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine
CID 166984319
9-Fluoro-2-methyl-6-azatricyclo[4.3.0.01,3]non-8-ene
CID 166984340
8-Ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 166984390
(2R,8S)-2-fluoro-8-propan-2-yl-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine
CID 172287808

Frequently Asked Questions

What is the IUPAC name of (8S)-8-ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine?
The IUPAC name of (8S)-8-ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine (CID 177095504) is (8S)-8-ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine.
What is the SMILES notation for (8S)-8-ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine?
The canonical SMILES for (8S)-8-ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine is CC[C@]12C=C(F)CN1CCC2.
What is the InChIKey of (8S)-8-ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine?
The InChIKey is BLCJAZSGRDAWRG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14FN/c1-2-9-4-3-5-11(9)7-8(10)6-9/h6H,2-5,7H2,1H3/t9-/m0/s1.
What are the key properties of (8S)-8-ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine?
(8S)-8-ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine has a molecular weight of 155.22 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine is sourced from PubChem (CID 177095504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).