3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one

C11H15F3N2O — CID 104787890

IUPAC3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)8-15-3-5-16(6-4-15)9-1-2-10(17)7-9/h7H,1-6,8H2
InChIKeyUAAMTJKMRMMDCY-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.41
Rot. Bonds2

About 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one

3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one (PubChem CID 104787890) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one
PubChem CID104787890
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)8-15-3-5-16(6-4-15)9-1-2-10(17)7-9/h7H,1-6,8H2
InChIKeyUAAMTJKMRMMDCY-UHFFFAOYSA-N
XLogP1.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,4-Dimethylpiperazin-4-ium-1-yl)cyclopent-2-en-1-one iodide
CID 10958231
3-(4-Methylpiperazin-1-yl)cyclopent-2-en-1-one
CID 11063014
3-(4,4-Dimethylpiperazin-4-ium-1-yl)cyclopent-2-en-1-one
CID 10958232
(Z)-5-azido-1,1,1-trifluoro-4-piperidin-1-ylpent-3-en-2-one
CID 16083739
3-[Methyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787736
3-[Ethyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787838
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787842
3-[Propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787843
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787844
3-[Methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one
CID 104787967
3-[3-(Trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one
CID 104787968
3-[4-(Trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one
CID 104787969

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one?
The IUPAC name of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one (CID 104787890) is 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one is O=C1C=C(N2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one?
The InChIKey is UAAMTJKMRMMDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)8-15-3-5-16(6-4-15)9-1-2-10(17)7-9/h7H,1-6,8H2.
What are the key properties of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one?
3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one has a molecular weight of 248.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 104787890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).