4-methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one

C8H11F3N2O — CID 123951722

IUPAC4-methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one
SMILESC=C1C(=O)N(CC(F)(F)F)CCN1C
InChIInChI=1S/C8H11F3N2O/c1-6-7(14)13(4-3-12(6)2)5-8(9,10)11/h1,3-5H2,2H3
InChIKeyCWLWGNQQTQFVGA-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.84
Rot. Bonds1

About 4-methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one

4-methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one (PubChem CID 123951722) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 4-methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one.

Molecular Properties

Compound Name4-methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one
PubChem CID123951722
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name4-methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one
SMILESC=C1C(=O)N(CC(F)(F)F)CCN1C
InChIInChI=1S/C8H11F3N2O/c1-6-7(14)13(4-3-12(6)2)5-8(9,10)11/h1,3-5H2,2H3
InChIKeyCWLWGNQQTQFVGA-UHFFFAOYSA-N
XLogP0.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,4-Diacetyl-3-methylidenepiperazine-2,5-dione
CID 15228669
1-[(1-Fluorocyclopropyl)methyl]-4-methyl-3-methylidenepiperazin-2-one
CID 123173795
4-(2-Fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
CID 158051122
4-(2,2-Difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
CID 158051123
4-(3-Fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
CID 158051128
1-(2-Fluoroethyl)-3-methylidene-4-propan-2-ylpiperazin-2-one
CID 161528278
1-(2,2-Difluoroethyl)-3-methylidene-4-propan-2-ylpiperazin-2-one
CID 161528279
1-(3-Fluoropropyl)-3-methylidene-4-propan-2-ylpiperazin-2-one
CID 161528285
N-ethyl-N-[2-oxo-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethyl]prop-2-enamide
CID 166407605
1-Acetyl-3-methylene-4-methylpiperazine-2,5-dione
CID 15326349
1,4-Dimethyl-3-methylidenepiperazin-2-one
CID 58748682
1,4-Ditert-butyl-3-methylidenepiperazin-2-one
CID 90134200

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one?
The IUPAC name of 4-methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one (CID 123951722) is 4-methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one.
What is the SMILES notation for 4-methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one?
The canonical SMILES for 4-methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one is C=C1C(=O)N(CC(F)(F)F)CCN1C.
What is the InChIKey of 4-methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one?
The InChIKey is CWLWGNQQTQFVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-6-7(14)13(4-3-12(6)2)5-8(9,10)11/h1,3-5H2,2H3.
What are the key properties of 4-methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one?
4-methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one has a molecular weight of 208.18 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one is sourced from PubChem (CID 123951722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).