[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine

C8H15FN2 — CID 118109110

IUPAC[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
SMILESNC[C@]12CCCN1C[C@@H](F)C2
InChIInChI=1S/C8H15FN2/c9-7-4-8(6-10)2-1-3-11(8)5-7/h7H,1-6,10H2/t7-,8+/m0/s1
InChIKeyXSWRIJVLPYHRRZ-JGVFFNPUSA-N
MW158.22 g/mol
LogP0.52
Rot. Bonds1

About [(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine

[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine (PubChem CID 118109110) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is [(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine.

Molecular Properties

Compound Name[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
PubChem CID118109110
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
SMILESNC[C@]12CCCN1C[C@@H](F)C2
InChIInChI=1S/C8H15FN2/c9-7-4-8(6-10)2-1-3-11(8)5-7/h7H,1-6,10H2/t7-,8+/m0/s1
InChIKeyXSWRIJVLPYHRRZ-JGVFFNPUSA-N
XLogP0.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256465
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 118109098
O-[[(2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine
CID 176690420
(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 159003358
(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
benzene;ethane;(8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;fluoromethane
CID 177213011
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
2-[8-(aminomethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanethiol
CID 145086025

Frequently Asked Questions

What is the IUPAC name of [(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
The IUPAC name of [(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine (CID 118109110) is [(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine.
What is the SMILES notation for [(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
The canonical SMILES for [(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine is NC[C@]12CCCN1C[C@@H](F)C2.
What is the InChIKey of [(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
The InChIKey is XSWRIJVLPYHRRZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15FN2/c9-7-4-8(6-10)2-1-3-11(8)5-7/h7H,1-6,10H2/t7-,8+/m0/s1.
What are the key properties of [(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine has a molecular weight of 158.22 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine is sourced from PubChem (CID 118109110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).