3-ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol

C11H21F3N2O2 — CID 90906273

IUPAC3-ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
SMILESCCOCC(CO)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O2/c1-2-18-8-10(7-17)16-5-3-15(4-6-16)9-11(12,13)14/h10,17H,2-9H2,1H3
InChIKeyOOLDRHCMWSNNRN-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.56
Rot. Bonds6

About 3-ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol

3-ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol (PubChem CID 90906273) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
PubChem CID90906273
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name3-ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
SMILESCCOCC(CO)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O2/c1-2-18-8-10(7-17)16-5-3-15(4-6-16)9-11(12,13)14/h10,17H,2-9H2,1H3
InChIKeyOOLDRHCMWSNNRN-UHFFFAOYSA-N
XLogP0.56
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2,2,2-Trifluoroethoxy)ethyl]piperazin-1-yl]ethanol
CID 53531321
1-[4-[2-(2,2,2-Trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol
CID 53590537
[4-(2,2,2-Trifluoroethyl)morpholin-3-yl]methanol
CID 116444439
1-Propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine
CID 124199559
2,2-Difluoro-3-[4-[4-(2-methoxyethyl)piperazin-1-yl]butoxy]propan-1-ol
CID 135172500
Ethane;1-propan-2-yl-4-[2-(trifluoromethoxy)ethyl]piperazine
CID 170709319
3-(Methoxymethyl)-4-propan-2-yl-5-(trifluoromethyl)morpholine
CID 176871789
[4-Propan-2-yl-5-(trifluoromethyl)morpholin-3-yl]methanol
CID 176871816
1-(2-Ethoxyethyl)-2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 53609531
1-(2-Methoxyethyl)-2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 53609778
2-Ethyl-1-(2-methoxyethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 53610284
1-[2-Methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol
CID 56778724

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol (CID 90906273) is 3-ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol is CCOCC(CO)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The InChIKey is OOLDRHCMWSNNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-2-18-8-10(7-17)16-5-3-15(4-6-16)9-11(12,13)14/h10,17H,2-9H2,1H3.
What are the key properties of 3-ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
3-ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol has a molecular weight of 270.29 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 90906273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).