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

C12H15F3N2O2 — CID 55140385

IUPAC1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CC(F)(F)F)CC1)c1ccco1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)9-17-5-3-16(4-6-17)8-10(18)11-2-1-7-19-11/h1-2,7H,3-6,8-9H2
InChIKeyLWHXWIHNGMZMJZ-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.64
Rot. Bonds4

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

1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (PubChem CID 55140385) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
PubChem CID55140385
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CC(F)(F)F)CC1)c1ccco1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)9-17-5-3-16(4-6-17)8-10(18)11-2-1-7-19-11/h1-2,7H,3-6,8-9H2
InChIKeyLWHXWIHNGMZMJZ-UHFFFAOYSA-N
XLogP1.64
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025348
2-(4-aminopiperidin-1-yl)-1-(furan-2-yl)ethanone
CID 62031487
2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone
CID 62206434
1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 55050319
1-phenyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-one
CID 62967368
2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride
CID 71644820
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone
CID 62050562
1-(furan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 43228329
1-[2-(furan-2-yl)-2-oxoethyl]-1,4-diazepan-5-one
CID 63002909
2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 54989522
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 37375212
4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid
CID 121077548

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (CID 55140385) is 1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is O=C(CN1CCN(CC(F)(F)F)CC1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The InChIKey is LWHXWIHNGMZMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)9-17-5-3-16(4-6-17)8-10(18)11-2-1-7-19-11/h1-2,7H,3-6,8-9H2.
What are the key properties of 1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone has a molecular weight of 276.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55140385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).