(2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine

C23H44F2N2O2 — CID 172612274

IUPAC(2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)O[C@@H](C)C12CCCN1C[C@H](F)C2.CC[C@H](OC(C)C)[C@@H]1C[C@@H](F)CN1C
InChIInChI=1S/C12H22FNO.C11H22FNO/c1-9(2)15-10(3)12-5-4-6-14(12)8-11(13)7-12;1-5-11(14-8(2)3)10-6-9(12)7-13(10)4/h9-11H,4-8H2,1-3H3;8-11H,5-7H2,1-4H3/t10-,11+,12?;9-,10+,11+/m01/s1
InChIKeyGDNFFWPISKKZQB-BOYUFBAISA-N
MW418.61 g/mol
LogP4.61
Rot. Bonds7

About (2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine

(2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 172612274) has the molecular formula C23H44F2N2O2 and a molecular weight of 418.61 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID172612274
Molecular FormulaC23H44F2N2O2
Molecular Weight418.61 g/mol
Exact Mass418.34
IUPAC Name(2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)O[C@@H](C)C12CCCN1C[C@H](F)C2.CC[C@H](OC(C)C)[C@@H]1C[C@@H](F)CN1C
InChIInChI=1S/C12H22FNO.C11H22FNO/c1-9(2)15-10(3)12-5-4-6-14(12)8-11(13)7-12;1-5-11(14-8(2)3)10-6-9(12)7-13(10)4/h9-11H,4-8H2,1-3H3;8-11H,5-7H2,1-4H3/t10-,11+,12?;9-,10+,11+/m01/s1
InChIKeyGDNFFWPISKKZQB-BOYUFBAISA-N
XLogP4.61
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine with MolForge

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Related Compounds

(2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane
CID 177009819
2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 170771511
3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane
CID 170421734
(2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine;methanol;(2S)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 172612732
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256465
4-fluoro-1-methyl-2-propan-2-ylpyrrolidine
CID 67725268
(2R,8R)-2-fluoro-7,7-dimethyl-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
CID 176776146
[(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
(2R,8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methane
CID 164903957
ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 177010029

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine (CID 172612274) is (2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)O[C@@H](C)C12CCCN1C[C@H](F)C2.CC[C@H](OC(C)C)[C@@H]1C[C@@H](F)CN1C.
What is the InChIKey of (2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is GDNFFWPISKKZQB-BOYUFBAISA-N. The full InChI is InChI=1S/C12H22FNO.C11H22FNO/c1-9(2)15-10(3)12-5-4-6-14(12)8-11(13)7-12;1-5-11(14-8(2)3)10-6-9(12)7-13(10)4/h9-11H,4-8H2,1-3H3;8-11H,5-7H2,1-4H3/t10-,11+,12?;9-,10+,11+/m01/s1.
What are the key properties of (2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
(2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 418.61 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxypropyl]pyrrolidine;(2R)-2-fluoro-8-[(1S)-1-propan-2-yloxyethyl]-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 172612274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).