1-(furan-2-yl)-2-(trifluoromethyl)piperazine

C9H11F3N2O — CID 115101312

IUPAC1-(furan-2-yl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1c1ccco1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-6-13-3-4-14(7)8-2-1-5-15-8/h1-2,5,7,13H,3-4,6H2
InChIKeyDJNAKDGGUOXULM-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.62
Rot. Bonds1

About 1-(furan-2-yl)-2-(trifluoromethyl)piperazine

1-(furan-2-yl)-2-(trifluoromethyl)piperazine (PubChem CID 115101312) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(trifluoromethyl)piperazine
PubChem CID115101312
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-(furan-2-yl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1c1ccco1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-6-13-3-4-14(7)8-2-1-5-15-8/h1-2,5,7,13H,3-4,6H2
InChIKeyDJNAKDGGUOXULM-UHFFFAOYSA-N
XLogP1.62
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine
CID 115101344
4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine
CID 172895095
3-tert-butyl-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine
CID 134595789
1-(3-fluorophenyl)-2-(trifluoromethyl)-1,4-diazepane
CID 115101727
(2S)-2-(furan-2-yl)piperazine-1-carbaldehyde
CID 124561846
1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine
CID 131475959
2-[[2-(trifluoromethyl)-1,4-diazepan-1-yl]methyl]phenol
CID 115101714
7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
CID 117002090
1-cyclopentyl-2-(trifluoromethyl)piperazine
CID 115101350
(2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine
CID 23402450
1-[2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 58542246
5-(2-benzylpiperazin-1-yl)-1,2-oxazole
CID 59674908

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-(furan-2-yl)-2-(trifluoromethyl)piperazine (CID 115101312) is 1-(furan-2-yl)-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(furan-2-yl)-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(furan-2-yl)-2-(trifluoromethyl)piperazine is FC(F)(F)C1CNCCN1c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-(trifluoromethyl)piperazine?
The InChIKey is DJNAKDGGUOXULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)7-6-13-3-4-14(7)8-2-1-5-15-8/h1-2,5,7,13H,3-4,6H2.
What are the key properties of 1-(furan-2-yl)-2-(trifluoromethyl)piperazine?
1-(furan-2-yl)-2-(trifluoromethyl)piperazine has a molecular weight of 220.19 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 115101312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).