ethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone

C10H21F3N2O2 — CID 156843736

IUPACethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
SMILESCC.CCO.O=C(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O.C2H6O.C2H6/c7-6(8,9)5(12)11-3-1-10-2-4-11;1-2-3;1-2/h10H,1-4H2;3H,2H2,1H3;1-2H3
InChIKeyMUKFYVOGWRGLNW-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.01
Rot. Bonds

About ethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone

ethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone (PubChem CID 156843736) has the molecular formula C10H21F3N2O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone.

Molecular Properties

Compound Nameethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
PubChem CID156843736
Molecular FormulaC10H21F3N2O2
Molecular Weight258.28 g/mol
Exact Mass258.16
IUPAC Nameethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
SMILESCC.CCO.O=C(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O.C2H6O.C2H6/c7-6(8,9)5(12)11-3-1-10-2-4-11;1-2-3;1-2/h10H,1-4H2;3H,2H2,1H3;1-2H3
InChIKeyMUKFYVOGWRGLNW-UHFFFAOYSA-N
XLogP1.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone?
The IUPAC name of ethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone (CID 156843736) is ethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone.
What is the SMILES notation for ethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone?
The canonical SMILES for ethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone is CC.CCO.O=C(N1CCNCC1)C(F)(F)F.
What is the InChIKey of ethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone?
The InChIKey is MUKFYVOGWRGLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O.C2H6O.C2H6/c7-6(8,9)5(12)11-3-1-10-2-4-11;1-2-3;1-2/h10H,1-4H2;3H,2H2,1H3;1-2H3.
What are the key properties of ethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone?
ethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone has a molecular weight of 258.28 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone is sourced from PubChem (CID 156843736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).