[(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone

C13H21F3N2O2 — CID 121261821

IUPAC[(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)[C@H]2CC(F)(F)CN2)C[C@H]1F
InChIInChI=1S/C13H21F3N2O2/c1-8(2)20-11-3-4-18(6-9(11)14)12(19)10-5-13(15,16)7-17-10/h8-11,17H,3-7H2,1-2H3/t9-,10-,11+/m1/s1
InChIKeySJNGOOYKGYBMCS-MXWKQRLJSA-N
MW294.32 g/mol
LogP1.35
Rot. Bonds3

About [(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone

[(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (PubChem CID 121261821) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is [(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
PubChem CID121261821
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name[(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
SMILESCC(C)O[C@H]1CCN(C(=O)[C@H]2CC(F)(F)CN2)C[C@H]1F
InChIInChI=1S/C13H21F3N2O2/c1-8(2)20-11-3-4-18(6-9(11)14)12(19)10-5-13(15,16)7-17-10/h8-11,17H,3-7H2,1-2H3/t9-,10-,11+/m1/s1
InChIKeySJNGOOYKGYBMCS-MXWKQRLJSA-N
XLogP1.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The IUPAC name of [(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone (CID 121261821) is [(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone.
What is the SMILES notation for [(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The canonical SMILES for [(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is CC(C)O[C@H]1CCN(C(=O)[C@H]2CC(F)(F)CN2)C[C@H]1F.
What is the InChIKey of [(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
The InChIKey is SJNGOOYKGYBMCS-MXWKQRLJSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-8(2)20-11-3-4-18(6-9(11)14)12(19)10-5-13(15,16)7-17-10/h8-11,17H,3-7H2,1-2H3/t9-,10-,11+/m1/s1.
What are the key properties of [(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone?
[(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone has a molecular weight of 294.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4,4-difluoropyrrolidin-2-yl]-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone is sourced from PubChem (CID 121261821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).