[(2S)-pyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C11H18F3N3O — CID 61259980

IUPAC[(2S)-pyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)8-16-4-6-17(7-5-16)10(18)9-2-1-3-15-9/h9,15H,1-8H2/t9-/m0/s1
InChIKeyOZNSYUCHZPAJLB-VIFPVBQESA-N
MW265.28 g/mol
LogP0.44
Rot. Bonds2

About [(2S)-pyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

[(2S)-pyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 61259980) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID61259980
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name[(2S)-pyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C([C@@H]1CCCN1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)8-16-4-6-17(7-5-16)10(18)9-2-1-3-15-9/h9,15H,1-8H2/t9-/m0/s1
InChIKeyOZNSYUCHZPAJLB-VIFPVBQESA-N
XLogP0.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of [(2S)-pyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 61259980) is [(2S)-pyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is O=C([C@@H]1CCCN1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is OZNSYUCHZPAJLB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18F3N3O/c12-11(13,14)8-16-4-6-17(7-5-16)10(18)9-2-1-3-15-9/h9,15H,1-8H2/t9-/m0/s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
[(2S)-pyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 265.28 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 61259980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).