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

C7H11F3N2O — CID 174862763

IUPAC1-(2,2,2-trifluoroethyl)piperazine-2-carbaldehyde
SMILESO=CC1CNCCN1CC(F)(F)F
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)5-12-2-1-11-3-6(12)4-13/h4,6,11H,1-3,5H2
InChIKeyTWZSFRWBDDJUNR-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.02
Rot. Bonds2

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

1-(2,2,2-trifluoroethyl)piperazine-2-carbaldehyde (PubChem CID 174862763) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)piperazine-2-carbaldehyde.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)piperazine-2-carbaldehyde
PubChem CID174862763
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name1-(2,2,2-trifluoroethyl)piperazine-2-carbaldehyde
SMILESO=CC1CNCCN1CC(F)(F)F
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)5-12-2-1-11-3-6(12)4-13/h4,6,11H,1-3,5H2
InChIKeyTWZSFRWBDDJUNR-UHFFFAOYSA-N
XLogP0.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)piperazine-2-carbaldehyde?
The IUPAC name of 1-(2,2,2-trifluoroethyl)piperazine-2-carbaldehyde (CID 174862763) is 1-(2,2,2-trifluoroethyl)piperazine-2-carbaldehyde.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)piperazine-2-carbaldehyde?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)piperazine-2-carbaldehyde is O=CC1CNCCN1CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)piperazine-2-carbaldehyde?
The InChIKey is TWZSFRWBDDJUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)5-12-2-1-11-3-6(12)4-13/h4,6,11H,1-3,5H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)piperazine-2-carbaldehyde?
1-(2,2,2-trifluoroethyl)piperazine-2-carbaldehyde has a molecular weight of 196.17 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)piperazine-2-carbaldehyde is sourced from PubChem (CID 174862763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).