(2S)-2-[(1R)-2-fluoro-1-[(2-methylpropan-2-yl)oxy]propyl]-1-methylpyrrolidine

C12H24FNO — CID 171423052

IUPAC(2S)-2-[(1R)-2-fluoro-1-[(2-methylpropan-2-yl)oxy]propyl]-1-methylpyrrolidine
SMILESCC(F)[C@H](OC(C)(C)C)[C@@H]1CCCN1C
InChIInChI=1S/C12H24FNO/c1-9(13)11(15-12(2,3)4)10-7-6-8-14(10)5/h9-11H,6-8H2,1-5H3/t9?,10-,11-/m0/s1
InChIKeyGOVTWDMUNAOSLN-DVRYWGNFSA-N
MW217.33 g/mol
LogP2.62
Rot. Bonds3

About (2S)-2-[(1R)-2-fluoro-1-[(2-methylpropan-2-yl)oxy]propyl]-1-methylpyrrolidine

(2S)-2-[(1R)-2-fluoro-1-[(2-methylpropan-2-yl)oxy]propyl]-1-methylpyrrolidine (PubChem CID 171423052) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is (2S)-2-[(1R)-2-fluoro-1-[(2-methylpropan-2-yl)oxy]propyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(1R)-2-fluoro-1-[(2-methylpropan-2-yl)oxy]propyl]-1-methylpyrrolidine
PubChem CID171423052
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name(2S)-2-[(1R)-2-fluoro-1-[(2-methylpropan-2-yl)oxy]propyl]-1-methylpyrrolidine
SMILESCC(F)[C@H](OC(C)(C)C)[C@@H]1CCCN1C
InChIInChI=1S/C12H24FNO/c1-9(13)11(15-12(2,3)4)10-7-6-8-14(10)5/h9-11H,6-8H2,1-5H3/t9?,10-,11-/m0/s1
InChIKeyGOVTWDMUNAOSLN-DVRYWGNFSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-2-fluoro-1-[(2-methylpropan-2-yl)oxy]propyl]-1-methylpyrrolidine?
The IUPAC name of (2S)-2-[(1R)-2-fluoro-1-[(2-methylpropan-2-yl)oxy]propyl]-1-methylpyrrolidine (CID 171423052) is (2S)-2-[(1R)-2-fluoro-1-[(2-methylpropan-2-yl)oxy]propyl]-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-[(1R)-2-fluoro-1-[(2-methylpropan-2-yl)oxy]propyl]-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-[(1R)-2-fluoro-1-[(2-methylpropan-2-yl)oxy]propyl]-1-methylpyrrolidine is CC(F)[C@H](OC(C)(C)C)[C@@H]1CCCN1C.
What is the InChIKey of (2S)-2-[(1R)-2-fluoro-1-[(2-methylpropan-2-yl)oxy]propyl]-1-methylpyrrolidine?
The InChIKey is GOVTWDMUNAOSLN-DVRYWGNFSA-N. The full InChI is InChI=1S/C12H24FNO/c1-9(13)11(15-12(2,3)4)10-7-6-8-14(10)5/h9-11H,6-8H2,1-5H3/t9?,10-,11-/m0/s1.
What are the key properties of (2S)-2-[(1R)-2-fluoro-1-[(2-methylpropan-2-yl)oxy]propyl]-1-methylpyrrolidine?
(2S)-2-[(1R)-2-fluoro-1-[(2-methylpropan-2-yl)oxy]propyl]-1-methylpyrrolidine has a molecular weight of 217.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-2-fluoro-1-[(2-methylpropan-2-yl)oxy]propyl]-1-methylpyrrolidine is sourced from PubChem (CID 171423052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).