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

C8H15F3N2O2 — CID 156843506

IUPACethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
SMILESCCO.O=C(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O.C2H6O/c7-6(8,9)5(12)11-3-1-10-2-4-11;1-2-3/h10H,1-4H2;3H,2H2,1H3
InChIKeyPZDHSHOJDPYAPV-UHFFFAOYSA-N
MW228.21 g/mol
LogP-0.02
Rot. Bonds

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

ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone (PubChem CID 156843506) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone.

Molecular Properties

Compound Nameethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
PubChem CID156843506
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Nameethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
SMILESCCO.O=C(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O.C2H6O/c7-6(8,9)5(12)11-3-1-10-2-4-11;1-2-3/h10H,1-4H2;3H,2H2,1H3
InChIKeyPZDHSHOJDPYAPV-UHFFFAOYSA-N
XLogP-0.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sulfanylidenemethanone;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 175551342
1-(1,4-diazepan-1-yl)-2,2,2-trifluoroethanone;hydrochloride
CID 50944168
2,2-difluoro-1-piperazin-1-ylpropan-1-one
CID 116840399
2-ethyl-2-hydroxy-1-piperazin-1-ylbutan-1-one
CID 142001842
3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
CID 22120293
2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone
CID 90786126
2,2,2-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 10330779
2,2-dimethyl-3-oxo-3-piperazin-1-ylpropanoic acid
CID 82820893
2-amino-1-(1,4-diazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 79796528
2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 172785490
2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one
CID 142030371
1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea
CID 82511597

Frequently Asked Questions

What is the IUPAC name of ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone?
The IUPAC name of ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone (CID 156843506) is ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone.
What is the SMILES notation for ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone?
The canonical SMILES for ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone is CCO.O=C(N1CCNCC1)C(F)(F)F.
What is the InChIKey of ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone?
The InChIKey is PZDHSHOJDPYAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O.C2H6O/c7-6(8,9)5(12)11-3-1-10-2-4-11;1-2-3/h10H,1-4H2;3H,2H2,1H3.
What are the key properties of ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone?
ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone has a molecular weight of 228.21 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone is sourced from PubChem (CID 156843506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).