(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine

C12H24FNO — CID 175612199

IUPAC(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
SMILESC[C@H](OC(C)(C)C)[C@H]1N(C)CCC1(C)F
InChIInChI=1S/C12H24FNO/c1-9(15-11(2,3)4)10-12(5,13)7-8-14(10)6/h9-10H,7-8H2,1-6H3/t9-,10+,12?/m0/s1
InChIKeyZAXZZAZZIYPVLE-YPBKCWQDSA-N
MW217.33 g/mol
LogP2.62
Rot. Bonds2

About (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine

(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine (PubChem CID 175612199) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
PubChem CID175612199
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
SMILESC[C@H](OC(C)(C)C)[C@H]1N(C)CCC1(C)F
InChIInChI=1S/C12H24FNO/c1-9(15-11(2,3)4)10-12(5,13)7-8-14(10)6/h9-10H,7-8H2,1-6H3/t9-,10+,12?/m0/s1
InChIKeyZAXZZAZZIYPVLE-YPBKCWQDSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The IUPAC name of (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine (CID 175612199) is (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine.
What is the SMILES notation for (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The canonical SMILES for (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine is C[C@H](OC(C)(C)C)[C@H]1N(C)CCC1(C)F.
What is the InChIKey of (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The InChIKey is ZAXZZAZZIYPVLE-YPBKCWQDSA-N. The full InChI is InChI=1S/C12H24FNO/c1-9(15-11(2,3)4)10-12(5,13)7-8-14(10)6/h9-10H,7-8H2,1-6H3/t9-,10+,12?/m0/s1.
What are the key properties of (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine has a molecular weight of 217.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine is sourced from PubChem (CID 175612199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).