2-[4-(trifluoromethyl)piperazin-1-yl]ethanol

C7H13F3N2O — CID 134820986

IUPAC2-[4-(trifluoromethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)12-3-1-11(2-4-12)5-6-13/h13H,1-6H2
InChIKeyHBKIKZFUNYUWQF-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.12
Rot. Bonds2

About 2-[4-(trifluoromethyl)piperazin-1-yl]ethanol

2-[4-(trifluoromethyl)piperazin-1-yl]ethanol (PubChem CID 134820986) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)piperazin-1-yl]ethanol
PubChem CID134820986
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name2-[4-(trifluoromethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)12-3-1-11(2-4-12)5-6-13/h13H,1-6H2
InChIKeyHBKIKZFUNYUWQF-UHFFFAOYSA-N
XLogP0.12
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(2,2,2-Trifluoroethoxy)ethyl]piperazin-1-yl]ethanol
CID 53531321
1,1,1-Trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 2765894
2-[4-(2-Fluoroethyl)piperazin-1-YL]ethanol
CID 45099649
2-(4-(2,2,2-Trifluoroethyl)piperazin-1-yl)ethan-1-ol
CID 60744112
2-[4-(2,2-Difluoroethyl)piperazin-1-yl]ethanol
CID 62022864
2-[4-(1-Fluoroethyl)piperazin-1-yl]ethanol
CID 69131590
2,2-Difluoro-2-piperazin-1-ylethanol
CID 132035546
Ethane;1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanol
CID 145338873
2-(4-Fluoropiperazin-1-yl)ethanol
CID 145343637
1-Fluoro-2-(4-methylpiperazin-1-yl)ethanol
CID 167149180
1-(2,2,2-Trifluoroethyl)piperazin-2-ol
CID 175626168
(2S)-1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 1479944

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(trifluoromethyl)piperazin-1-yl]ethanol (CID 134820986) is 2-[4-(trifluoromethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(trifluoromethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(trifluoromethyl)piperazin-1-yl]ethanol is OCCN1CCN(C(F)(F)F)CC1.
What is the InChIKey of 2-[4-(trifluoromethyl)piperazin-1-yl]ethanol?
The InChIKey is HBKIKZFUNYUWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c8-7(9,10)12-3-1-11(2-4-12)5-6-13/h13H,1-6H2.
What are the key properties of 2-[4-(trifluoromethyl)piperazin-1-yl]ethanol?
2-[4-(trifluoromethyl)piperazin-1-yl]ethanol has a molecular weight of 198.19 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 134820986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).