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

C7H13F3N2O — CID 139532565

IUPAC1,1,1-trifluoro-2-piperazin-2-ylpropan-2-ol
SMILESCC(O)(C1CNCCN1)C(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-6(13,7(8,9)10)5-4-11-2-3-12-5/h5,11-13H,2-4H2,1H3
InChIKeyJHJFXZUQBYYWCP-UHFFFAOYSA-N
MW198.19 g/mol
LogP-0.14
Rot. Bonds1

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

1,1,1-trifluoro-2-piperazin-2-ylpropan-2-ol (PubChem CID 139532565) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-piperazin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-piperazin-2-ylpropan-2-ol
PubChem CID139532565
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name1,1,1-trifluoro-2-piperazin-2-ylpropan-2-ol
SMILESCC(O)(C1CNCCN1)C(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-6(13,7(8,9)10)5-4-11-2-3-12-5/h5,11-13H,2-4H2,1H3
InChIKeyJHJFXZUQBYYWCP-UHFFFAOYSA-N
XLogP-0.14
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-2-piperazin-2-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-piperazin-2-ylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-piperazin-2-ylpropan-2-ol (CID 139532565) is 1,1,1-trifluoro-2-piperazin-2-ylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-piperazin-2-ylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-piperazin-2-ylpropan-2-ol is CC(O)(C1CNCCN1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-piperazin-2-ylpropan-2-ol?
The InChIKey is JHJFXZUQBYYWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-6(13,7(8,9)10)5-4-11-2-3-12-5/h5,11-13H,2-4H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-piperazin-2-ylpropan-2-ol?
1,1,1-trifluoro-2-piperazin-2-ylpropan-2-ol has a molecular weight of 198.19 g/mol, XLogP of -0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-piperazin-2-ylpropan-2-ol is sourced from PubChem (CID 139532565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).