2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone

C11H17F3N2O2 — CID 60707733

IUPAC2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(N1CCN(CC2CCCO2)CC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)10(17)16-5-3-15(4-6-16)8-9-2-1-7-18-9/h9H,1-8H2
InChIKeyQUDDXDLMOALCHZ-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.87
Rot. Bonds2

About 2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 60707733) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID60707733
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(N1CCN(CC2CCCO2)CC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)10(17)16-5-3-15(4-6-16)8-9-2-1-7-18-9/h9H,1-8H2
InChIKeyQUDDXDLMOALCHZ-UHFFFAOYSA-N
XLogP0.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-Ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 130359368
[4-Methyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 130359371
Oxolan-2-yl-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]methanone
CID 166851278
N-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 56806495
3,3,3-Trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 60416351
2,2,2-Trifluoro-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 60707937
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
2,2,2-Trifluoro-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 63198975
2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 63199305
2,2,2-trifluoro-N,N-bis(oxolan-2-ylmethyl)acetamide
CID 63374724
2,2,2-Trifluoroethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate
CID 65173579
2,2,2-Trifluoro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66370734

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone (CID 60707733) is 2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone is O=C(N1CCN(CC2CCCO2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is QUDDXDLMOALCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13,14)10(17)16-5-3-15(4-6-16)8-9-2-1-7-18-9/h9H,1-8H2.
What are the key properties of 2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 266.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 60707733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).