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

C7H11F3N2O — CID 174862765

IUPAC1-(1,2,2-trifluoroethyl)piperazine-2-carbaldehyde
SMILESO=CC1CNCCN1C(F)C(F)F
InChIInChI=1S/C7H11F3N2O/c8-6(9)7(10)12-2-1-11-3-5(12)4-13/h4-7,11H,1-3H2
InChIKeyHOGGLZMTXIFDRS-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.02
Rot. Bonds3

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

1-(1,2,2-trifluoroethyl)piperazine-2-carbaldehyde (PubChem CID 174862765) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 1-(1,2,2-trifluoroethyl)piperazine-2-carbaldehyde.

Molecular Properties

Compound Name1-(1,2,2-trifluoroethyl)piperazine-2-carbaldehyde
PubChem CID174862765
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name1-(1,2,2-trifluoroethyl)piperazine-2-carbaldehyde
SMILESO=CC1CNCCN1C(F)C(F)F
InChIInChI=1S/C7H11F3N2O/c8-6(9)7(10)12-2-1-11-3-5(12)4-13/h4-7,11H,1-3H2
InChIKeyHOGGLZMTXIFDRS-UHFFFAOYSA-N
XLogP0.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-(Trifluoromethyl)piperazine-2-carbaldehyde
CID 155673434
1-(2,2,2-Trifluoroacetyl)piperazine-2-carbaldehyde
CID 156843716
(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;2,2,2-trifluoroacetaldehyde
CID 157334875
(2R)-1-(2,2,2-trifluoroacetyl)piperazine-2-carbaldehyde
CID 166752838
1-(2-Fluoroethyl)piperazine-2-carbaldehyde
CID 174440577
5,5-Dimethyl-1-(trifluoromethyl)piperazine-2-carbaldehyde
CID 174576382
Piperazine-2-carbaldehyde;2,2,2-trifluoroacetic acid
CID 174654736
1-(2,2,2-Trifluoroethyl)piperazine-2-carbaldehyde
CID 174862763
2-Fluoro-2-piperazin-1-ylpropanal
CID 175277493
1-(Trifluoromethyl)piperazine-2-carboxamide
CID 175949057
1-(2,2,2-Trifluoroethyl)piperazine-2-carboxamide
CID 65629162
1-(2,2-Difluoroethyl)piperazine-2-carboxamide
CID 65631303

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trifluoroethyl)piperazine-2-carbaldehyde?
The IUPAC name of 1-(1,2,2-trifluoroethyl)piperazine-2-carbaldehyde (CID 174862765) is 1-(1,2,2-trifluoroethyl)piperazine-2-carbaldehyde.
What is the SMILES notation for 1-(1,2,2-trifluoroethyl)piperazine-2-carbaldehyde?
The canonical SMILES for 1-(1,2,2-trifluoroethyl)piperazine-2-carbaldehyde is O=CC1CNCCN1C(F)C(F)F.
What is the InChIKey of 1-(1,2,2-trifluoroethyl)piperazine-2-carbaldehyde?
The InChIKey is HOGGLZMTXIFDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-6(9)7(10)12-2-1-11-3-5(12)4-13/h4-7,11H,1-3H2.
What are the key properties of 1-(1,2,2-trifluoroethyl)piperazine-2-carbaldehyde?
1-(1,2,2-trifluoroethyl)piperazine-2-carbaldehyde has a molecular weight of 196.17 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trifluoroethyl)piperazine-2-carbaldehyde is sourced from PubChem (CID 174862765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).