ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

C10H19F3N2O — CID 143483059

IUPACethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESCC.CC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O.C2H6/c1-7(14)13-4-2-12(3-5-13)6-8(9,10)11;1-2/h2-6H2,1H3;1-2H3
InChIKeyOBYCGLSJQJKTGA-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.74
Rot. Bonds1

About ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (PubChem CID 143483059) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
PubChem CID143483059
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Nameethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESCC.CC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O.C2H6/c1-7(14)13-4-2-12(3-5-13)6-8(9,10)11;1-2/h2-6H2,1H3;1-2H3
InChIKeyOBYCGLSJQJKTGA-UHFFFAOYSA-N
XLogP1.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 114327524
1-[4-(3-bromo-2,2-dimethylpropyl)piperazin-1-yl]ethanone
CID 65000467
3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 71782653
2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 61260522
2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 61260523
1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 71782652
3-amino-2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120502681
(2S)-2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119838358
(2S)-2-amino-4-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 61259797
[(2S)-1-oxo-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-yl]carbamic acid
CID 174209880
2-hydroxyethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
CID 79346575
5-oxo-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid
CID 43580112

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The IUPAC name of ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (CID 143483059) is ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The canonical SMILES for ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is CC.CC(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The InChIKey is OBYCGLSJQJKTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O.C2H6/c1-7(14)13-4-2-12(3-5-13)6-8(9,10)11;1-2/h2-6H2,1H3;1-2H3.
What are the key properties of ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone has a molecular weight of 240.27 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 143483059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).