ethane;1-methyl-3-(trifluoromethoxymethyl)piperazine

C9H19F3N2O — CID 169184234

IUPACethane;1-methyl-3-(trifluoromethoxymethyl)piperazine
SMILESCC.CN1CCNC(COC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O.C2H6/c1-12-3-2-11-6(4-12)5-13-7(8,9)10;1-2/h6,11H,2-5H2,1H3;1-2H3
InChIKeyHDELROJYMFQUQQ-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.45
Rot. Bonds2

About ethane;1-methyl-3-(trifluoromethoxymethyl)piperazine

ethane;1-methyl-3-(trifluoromethoxymethyl)piperazine (PubChem CID 169184234) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is ethane;1-methyl-3-(trifluoromethoxymethyl)piperazine.

Molecular Properties

Compound Nameethane;1-methyl-3-(trifluoromethoxymethyl)piperazine
PubChem CID169184234
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Nameethane;1-methyl-3-(trifluoromethoxymethyl)piperazine
SMILESCC.CN1CCNC(COC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O.C2H6/c1-12-3-2-11-6(4-12)5-13-7(8,9)10;1-2/h6,11H,2-5H2,1H3;1-2H3
InChIKeyHDELROJYMFQUQQ-UHFFFAOYSA-N
XLogP1.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Dimethyl-3-morpholinemethanamine
CID 18915134
rac-(2R,6S)-1-(2-methoxyethyl)-2,6-dimethylpiperazine
CID 51623023
Methyl[1-(morpholin-4-yl)propan-2-yl]amine
CID 61501008
(2S)-2-(methoxymethyl)piperazine
CID 92978713
1-[3-(2,2,2-Trifluoroethoxy)propyl]piperazine
CID 45792290
3-(Morpholin-4-yl)butan-2-amine
CID 50987517
1-(2-Ethoxyethyl)-2-ethylpiperazine
CID 54592596
1-Methoxy-3-(morpholin-4-yl)propan-2-amine
CID 81102361
2-(Methoxymethyl)-1-methylpiperazine dihydrochloride
CID 178190513
3-(2,6-Dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-2-amine
CID 61647279
2-(Methoxymethyl)-1-(trifluoroacetyl)piperazine
CID 21295713
2,2,3,3-tetrafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 29005203

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(trifluoromethoxymethyl)piperazine?
The IUPAC name of ethane;1-methyl-3-(trifluoromethoxymethyl)piperazine (CID 169184234) is ethane;1-methyl-3-(trifluoromethoxymethyl)piperazine.
What is the SMILES notation for ethane;1-methyl-3-(trifluoromethoxymethyl)piperazine?
The canonical SMILES for ethane;1-methyl-3-(trifluoromethoxymethyl)piperazine is CC.CN1CCNC(COC(F)(F)F)C1.
What is the InChIKey of ethane;1-methyl-3-(trifluoromethoxymethyl)piperazine?
The InChIKey is HDELROJYMFQUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O.C2H6/c1-12-3-2-11-6(4-12)5-13-7(8,9)10;1-2/h6,11H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-3-(trifluoromethoxymethyl)piperazine?
ethane;1-methyl-3-(trifluoromethoxymethyl)piperazine has a molecular weight of 228.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(trifluoromethoxymethyl)piperazine is sourced from PubChem (CID 169184234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).