2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol

C9H17F3N2O — CID 166175485

IUPAC2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
SMILESC[C@@H]1CN(CC(F)(F)F)CCN1CCO
InChIInChI=1S/C9H17F3N2O/c1-8-6-13(7-9(10,11)12)2-3-14(8)4-5-15/h8,15H,2-7H2,1H3/t8-/m1/s1
InChIKeyLFVADECUQGJWKA-MRVPVSSYSA-N
MW226.24 g/mol
LogP0.55
Rot. Bonds3

About 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol

2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol (PubChem CID 166175485) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
PubChem CID166175485
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
SMILESC[C@@H]1CN(CC(F)(F)F)CCN1CCO
InChIInChI=1S/C9H17F3N2O/c1-8-6-13(7-9(10,11)12)2-3-14(8)4-5-15/h8,15H,2-7H2,1H3/t8-/m1/s1
InChIKeyLFVADECUQGJWKA-MRVPVSSYSA-N
XLogP0.55
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol (CID 166175485) is 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol is C[C@@H]1CN(CC(F)(F)F)CCN1CCO.
What is the InChIKey of 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The InChIKey is LFVADECUQGJWKA-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-8-6-13(7-9(10,11)12)2-3-14(8)4-5-15/h8,15H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol has a molecular weight of 226.24 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 166175485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).