(2R)-1-(2,2,2-trifluoroacetyl)piperazine-2-carbaldehyde

C7H9F3N2O2 — CID 166752838

IUPAC(2R)-1-(2,2,2-trifluoroacetyl)piperazine-2-carbaldehyde
SMILESO=C[C@H]1CNCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)6(14)12-2-1-11-3-5(12)4-13/h4-5,11H,1-3H2/t5-/m1/s1
InChIKeyZLVWZPLGKUGAFV-RXMQYKEDSA-N
MW210.15 g/mol
LogP-0.45
Rot. Bonds1

About (2R)-1-(2,2,2-trifluoroacetyl)piperazine-2-carbaldehyde

(2R)-1-(2,2,2-trifluoroacetyl)piperazine-2-carbaldehyde (PubChem CID 166752838) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is (2R)-1-(2,2,2-trifluoroacetyl)piperazine-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-1-(2,2,2-trifluoroacetyl)piperazine-2-carbaldehyde
PubChem CID166752838
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name(2R)-1-(2,2,2-trifluoroacetyl)piperazine-2-carbaldehyde
SMILESO=C[C@H]1CNCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)6(14)12-2-1-11-3-5(12)4-13/h4-5,11H,1-3H2/t5-/m1/s1
InChIKeyZLVWZPLGKUGAFV-RXMQYKEDSA-N
XLogP-0.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diformylpiperazine
CID 19016607
N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 11447157
2-(2,2,2-Trifluoroacetyl)piperazine-1-carbaldehyde
CID 54055696
(2S)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 59108516
CID 59108673
CID 59108673
(2R)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 59111621
2-(2-formylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62655874
2,2,2-Trifluoro-N-{2-[4-(3-oxopropyl)piperazin-1-yl]ethyl}acetamide
CID 71411633
N-[(2S)-1-amino-3-oxopropan-2-yl]-4,4,4-trifluorobutanamide
CID 130277367
4-(2,2,2-Trifluoroacetyl)piperazine-2-carboxamide
CID 130771400
2-formamido-N-(2,2,2-trifluoroethyl)propanamide
CID 144535999
(6S)-6-(difluoromethyl)-4-methylpiperazin-2-one
CID 146265435

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2,2-trifluoroacetyl)piperazine-2-carbaldehyde?
The IUPAC name of (2R)-1-(2,2,2-trifluoroacetyl)piperazine-2-carbaldehyde (CID 166752838) is (2R)-1-(2,2,2-trifluoroacetyl)piperazine-2-carbaldehyde.
What is the SMILES notation for (2R)-1-(2,2,2-trifluoroacetyl)piperazine-2-carbaldehyde?
The canonical SMILES for (2R)-1-(2,2,2-trifluoroacetyl)piperazine-2-carbaldehyde is O=C[C@H]1CNCCN1C(=O)C(F)(F)F.
What is the InChIKey of (2R)-1-(2,2,2-trifluoroacetyl)piperazine-2-carbaldehyde?
The InChIKey is ZLVWZPLGKUGAFV-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c8-7(9,10)6(14)12-2-1-11-3-5(12)4-13/h4-5,11H,1-3H2/t5-/m1/s1.
What are the key properties of (2R)-1-(2,2,2-trifluoroacetyl)piperazine-2-carbaldehyde?
(2R)-1-(2,2,2-trifluoroacetyl)piperazine-2-carbaldehyde has a molecular weight of 210.15 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,2,2-trifluoroacetyl)piperazine-2-carbaldehyde is sourced from PubChem (CID 166752838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).