ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C11H22FNO — CID 177010029

IUPACethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC.COC[C@@]12CCCN1C[C@H](F)C2
InChIInChI=1S/C9H16FNO.C2H6/c1-12-7-9-3-2-4-11(9)6-8(10)5-9;1-2/h8H,2-7H2,1H3;1-2H3/t8-,9+;/m1./s1
InChIKeyIUCSKNGJNNZKPU-RJUBDTSPSA-N
MW203.30 g/mol
LogP2.24
Rot. Bonds2

About ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 177010029) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Nameethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID177010029
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Nameethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC.COC[C@@]12CCCN1C[C@H](F)C2
InChIInChI=1S/C9H16FNO.C2H6/c1-12-7-9-3-2-4-11(9)6-8(10)5-9;1-2/h8H,2-7H2,1H3;1-2H3/t8-,9+;/m1./s1
InChIKeyIUCSKNGJNNZKPU-RJUBDTSPSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(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
O-[[(2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine
CID 176690420
ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164904163
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256465
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168942817
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
ethane;8-(methoxymethyl)-2-methylsulfinyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 164922697
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
benzene;[(2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;fluoromethane
CID 177213305

Frequently Asked Questions

What is the IUPAC name of ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 177010029) is ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is CC.COC[C@@]12CCCN1C[C@H](F)C2.
What is the InChIKey of ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is IUCSKNGJNNZKPU-RJUBDTSPSA-N. The full InChI is InChI=1S/C9H16FNO.C2H6/c1-12-7-9-3-2-4-11(9)6-8(10)5-9;1-2/h8H,2-7H2,1H3;1-2H3/t8-,9+;/m1./s1.
What are the key properties of ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 203.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 177010029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).