2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine

C11H12F4N2 — CID 91666755

IUPAC2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine
SMILESFc1cc(C2CNCCN2)ccc1C(F)(F)F
InChIInChI=1S/C11H12F4N2/c12-9-5-7(10-6-16-3-4-17-10)1-2-8(9)11(13,14)15/h1-2,5,10,16-17H,3-4,6H2
InChIKeyWLAGKLZWWFRXKL-UHFFFAOYSA-N
MW248.22 g/mol
LogP2.08
Rot. Bonds1

About 2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine

2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine (PubChem CID 91666755) has the molecular formula C11H12F4N2 and a molecular weight of 248.22 g/mol. Its IUPAC name is 2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine
PubChem CID91666755
Molecular FormulaC11H12F4N2
Molecular Weight248.22 g/mol
Exact Mass248.09
IUPAC Name2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine
SMILESFc1cc(C2CNCCN2)ccc1C(F)(F)F
InChIInChI=1S/C11H12F4N2/c12-9-5-7(10-6-16-3-4-17-10)1-2-8(9)11(13,14)15/h1-2,5,10,16-17H,3-4,6H2
InChIKeyWLAGKLZWWFRXKL-UHFFFAOYSA-N
XLogP2.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine 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 2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine (CID 91666755) is 2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine is Fc1cc(C2CNCCN2)ccc1C(F)(F)F.
What is the InChIKey of 2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is WLAGKLZWWFRXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2/c12-9-5-7(10-6-16-3-4-17-10)1-2-8(9)11(13,14)15/h1-2,5,10,16-17H,3-4,6H2.
What are the key properties of 2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine?
2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 248.22 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 91666755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).