1,1,3-trifluoro-3-piperazin-1-ylpropan-2-ol

C7H13F3N2O — CID 89155713

IUPAC1,1,3-trifluoro-3-piperazin-1-ylpropan-2-ol
SMILESOC(C(F)F)C(F)N1CCNCC1
InChIInChI=1S/C7H13F3N2O/c8-6(9)5(13)7(10)12-3-1-11-2-4-12/h5-7,11,13H,1-4H2
InChIKeyKBOZFVYKLKMIGN-UHFFFAOYSA-N
MW198.19 g/mol
LogP-0.19
Rot. Bonds3

About 1,1,3-trifluoro-3-piperazin-1-ylpropan-2-ol

1,1,3-trifluoro-3-piperazin-1-ylpropan-2-ol (PubChem CID 89155713) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 1,1,3-trifluoro-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,3-trifluoro-3-piperazin-1-ylpropan-2-ol
PubChem CID89155713
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name1,1,3-trifluoro-3-piperazin-1-ylpropan-2-ol
SMILESOC(C(F)F)C(F)N1CCNCC1
InChIInChI=1S/C7H13F3N2O/c8-6(9)5(13)7(10)12-3-1-11-2-4-12/h5-7,11,13H,1-4H2
InChIKeyKBOZFVYKLKMIGN-UHFFFAOYSA-N
XLogP-0.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trifluoro-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1,1,3-trifluoro-3-piperazin-1-ylpropan-2-ol (CID 89155713) is 1,1,3-trifluoro-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1,1,3-trifluoro-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1,1,3-trifluoro-3-piperazin-1-ylpropan-2-ol is OC(C(F)F)C(F)N1CCNCC1.
What is the InChIKey of 1,1,3-trifluoro-3-piperazin-1-ylpropan-2-ol?
The InChIKey is KBOZFVYKLKMIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c8-6(9)5(13)7(10)12-3-1-11-2-4-12/h5-7,11,13H,1-4H2.
What are the key properties of 1,1,3-trifluoro-3-piperazin-1-ylpropan-2-ol?
1,1,3-trifluoro-3-piperazin-1-ylpropan-2-ol has a molecular weight of 198.19 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trifluoro-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 89155713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).