(2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine

C11H20FNO — CID 178086418

IUPAC(2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine
SMILESC[C@@](F)(C1CCOCC1)[C@H]1CCCN1
InChIInChI=1S/C11H20FNO/c1-11(12,10-3-2-6-13-10)9-4-7-14-8-5-9/h9-10,13H,2-8H2,1H3/t10-,11-/m1/s1
InChIKeyCTTNNHUVGXILBT-GHMZBOCLSA-N
MW201.28 g/mol
LogP1.89
Rot. Bonds2

About (2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine

(2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine (PubChem CID 178086418) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine
PubChem CID178086418
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine
SMILESC[C@@](F)(C1CCOCC1)[C@H]1CCCN1
InChIInChI=1S/C11H20FNO/c1-11(12,10-3-2-6-13-10)9-4-7-14-8-5-9/h9-10,13H,2-8H2,1H3/t10-,11-/m1/s1
InChIKeyCTTNNHUVGXILBT-GHMZBOCLSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine?
The IUPAC name of (2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine (CID 178086418) is (2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine?
The canonical SMILES for (2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine is C[C@@](F)(C1CCOCC1)[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine?
The InChIKey is CTTNNHUVGXILBT-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H20FNO/c1-11(12,10-3-2-6-13-10)9-4-7-14-8-5-9/h9-10,13H,2-8H2,1H3/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine?
(2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine has a molecular weight of 201.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine is sourced from PubChem (CID 178086418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).