ethane;(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine

C12H22FN — CID 176951733

IUPACethane;(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine
SMILESCC.CC[C@@]12C=C(C)CN1C[C@H](F)C2
InChIInChI=1S/C10H16FN.C2H6/c1-3-10-4-8(2)6-12(10)7-9(11)5-10;1-2/h4,9H,3,5-7H2,1-2H3;1-2H3/t9-,10+;/m1./s1
InChIKeyDZBPMEUQKOKMMY-UXQCFNEQSA-N
MW199.31 g/mol
LogP3.17
Rot. Bonds1

About ethane;(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine

ethane;(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine (PubChem CID 176951733) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is ethane;(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine.

Molecular Properties

Compound Nameethane;(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine
PubChem CID176951733
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Nameethane;(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine
SMILESCC.CC[C@@]12C=C(C)CN1C[C@H](F)C2
InChIInChI=1S/C10H16FN.C2H6/c1-3-10-4-8(2)6-12(10)7-9(11)5-10;1-2/h4,9H,3,5-7H2,1-2H3;1-2H3/t9-,10+;/m1./s1
InChIKeyDZBPMEUQKOKMMY-UXQCFNEQSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzene;ethane;(8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;fluoromethane
CID 177213011
8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
CID 165123955
ethane;[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol
CID 177009844
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256465
ethane;1-ethyl-3-fluoroazetidine
CID 145180834
(2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 176776231
3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane
CID 170421734
(2R,8S)-2-fluoro-7-methylidene-8-propan-2-yl-2,3,5,6-tetrahydro-1H-pyrrolizine
CID 176776378
(3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine
CID 176919410
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 118109110
ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 177010029
(2R,8R)-2-fluoro-7,7-dimethyl-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
CID 176776146

Frequently Asked Questions

What is the IUPAC name of ethane;(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine?
The IUPAC name of ethane;(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine (CID 176951733) is ethane;(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine.
What is the SMILES notation for ethane;(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine?
The canonical SMILES for ethane;(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine is CC.CC[C@@]12C=C(C)CN1C[C@H](F)C2.
What is the InChIKey of ethane;(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine?
The InChIKey is DZBPMEUQKOKMMY-UXQCFNEQSA-N. The full InChI is InChI=1S/C10H16FN.C2H6/c1-3-10-4-8(2)6-12(10)7-9(11)5-10;1-2/h4,9H,3,5-7H2,1-2H3;1-2H3/t9-,10+;/m1./s1.
What are the key properties of ethane;(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine?
ethane;(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine has a molecular weight of 199.31 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine is sourced from PubChem (CID 176951733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).