[2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate

C10H12F6N2O3 — CID 154651460

IUPAC[2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate
SMILESCCC1(OC(=O)C(F)(F)F)CNCCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H12F6N2O3/c1-2-8(21-7(20)10(14,15)16)5-17-3-4-18(8)6(19)9(11,12)13/h17H,2-5H2,1H3
InChIKeyCAMMGEWGIABKCH-UHFFFAOYSA-N
MW322.21 g/mol
LogP1.19
Rot. Bonds2

About [2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate

[2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate (PubChem CID 154651460) has the molecular formula C10H12F6N2O3 and a molecular weight of 322.21 g/mol. Its IUPAC name is [2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate
PubChem CID154651460
Molecular FormulaC10H12F6N2O3
Molecular Weight322.21 g/mol
Exact Mass322.08
IUPAC Name[2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate
SMILESCCC1(OC(=O)C(F)(F)F)CNCCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H12F6N2O3/c1-2-8(21-7(20)10(14,15)16)5-17-3-4-18(8)6(19)9(11,12)13/h17H,2-5H2,1H3
InChIKeyCAMMGEWGIABKCH-UHFFFAOYSA-N
XLogP1.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

(2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid
CID 174409479
[(2R)-1,2-dimethylpiperazin-2-yl] 2,2,2-trifluoroacetate
CID 153408592
1-[1,2-bis(2,2,2-trifluoroacetyl)-1,4,7,10-tetrazacyclododec-2-yl]-2,2,2-trifluoroethanone
CID 91079542
2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid
CID 175892902
ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 156843506
1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one
CID 130562045
3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate
CID 141044506
2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
CID 77277312
1-[1,2-bis(2,2,2-trifluoroacetyl)-1,4,8,11-tetrazacyclotetradec-2-yl]-2,2,2-trifluoroethanone
CID 137424723
[(2S)-1-benzyl-2-(difluoromethyl)piperazin-2-yl] 2,2,2-trifluoroacetate
CID 166029000
tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
1-(3-ethyl-3-ethynylmorpholin-4-yl)-2,2,2-trifluoroethanone
CID 167725905

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate (CID 154651460) is [2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate is CCC1(OC(=O)C(F)(F)F)CNCCN1C(=O)C(F)(F)F.
What is the InChIKey of [2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is CAMMGEWGIABKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6N2O3/c1-2-8(21-7(20)10(14,15)16)5-17-3-4-18(8)6(19)9(11,12)13/h17H,2-5H2,1H3.
What are the key properties of [2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
[2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 322.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 154651460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).