4-(2,2,2-trifluoroethyl)piperazine-1-carbaldehyde

C7H11F3N2O — CID 64992619

IUPAC4-(2,2,2-trifluoroethyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)5-11-1-3-12(6-13)4-2-11/h6H,1-5H2
InChIKeyCYXJGRKRXBVWHE-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.32
Rot. Bonds2

About 4-(2,2,2-trifluoroethyl)piperazine-1-carbaldehyde

4-(2,2,2-trifluoroethyl)piperazine-1-carbaldehyde (PubChem CID 64992619) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)piperazine-1-carbaldehyde
PubChem CID64992619
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name4-(2,2,2-trifluoroethyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)5-11-1-3-12(6-13)4-2-11/h6H,1-5H2
InChIKeyCYXJGRKRXBVWHE-UHFFFAOYSA-N
XLogP0.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2,2,2-trifluoroethyl)piperazine-1-carbaldehyde (CID 64992619) is 4-(2,2,2-trifluoroethyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)piperazine-1-carbaldehyde is O=CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)piperazine-1-carbaldehyde?
The InChIKey is CYXJGRKRXBVWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)5-11-1-3-12(6-13)4-2-11/h6H,1-5H2.
What are the key properties of 4-(2,2,2-trifluoroethyl)piperazine-1-carbaldehyde?
4-(2,2,2-trifluoroethyl)piperazine-1-carbaldehyde has a molecular weight of 196.17 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 64992619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).