2-[(2R)-pyrrolidin-2-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone

C12H19F3N2O — CID 129366371

IUPAC2-[(2R)-pyrrolidin-2-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(C[C@H]1CCCN1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)9-3-2-6-17(8-9)11(18)7-10-4-1-5-16-10/h9-10,16H,1-8H2/t9-,10-/m1/s1
InChIKeyKGQVZIXNOJUZFK-NXEZZACHSA-N
MW264.29 g/mol
LogP1.93
Rot. Bonds2

About 2-[(2R)-pyrrolidin-2-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone

2-[(2R)-pyrrolidin-2-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 129366371) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-[(2R)-pyrrolidin-2-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2R)-pyrrolidin-2-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID129366371
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2-[(2R)-pyrrolidin-2-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(C[C@H]1CCCN1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)9-3-2-6-17(8-9)11(18)7-10-4-1-5-16-10/h9-10,16H,1-8H2/t9-,10-/m1/s1
InChIKeyKGQVZIXNOJUZFK-NXEZZACHSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-pyrrolidin-2-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(2R)-pyrrolidin-2-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 129366371) is 2-[(2R)-pyrrolidin-2-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2R)-pyrrolidin-2-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(2R)-pyrrolidin-2-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(C[C@H]1CCCN1)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of 2-[(2R)-pyrrolidin-2-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is KGQVZIXNOJUZFK-NXEZZACHSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)9-3-2-6-17(8-9)11(18)7-10-4-1-5-16-10/h9-10,16H,1-8H2/t9-,10-/m1/s1.
What are the key properties of 2-[(2R)-pyrrolidin-2-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[(2R)-pyrrolidin-2-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 264.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-pyrrolidin-2-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 129366371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).