1-[3-bromo-5-(trifluoromethyl)phenyl]piperazine

C11H12BrF3N2 — CID 22717043

IUPAC1-[3-bromo-5-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cc(Br)cc(N2CCNCC2)c1
InChIInChI=1S/C11H12BrF3N2/c12-9-5-8(11(13,14)15)6-10(7-9)17-3-1-16-2-4-17/h5-7,16H,1-4H2
InChIKeyVFPHNYWUVXZSOO-UHFFFAOYSA-N
MW309.13 g/mol
LogP2.88
Rot. Bonds1

About 1-[3-bromo-5-(trifluoromethyl)phenyl]piperazine

1-[3-bromo-5-(trifluoromethyl)phenyl]piperazine (PubChem CID 22717043) has the molecular formula C11H12BrF3N2 and a molecular weight of 309.13 g/mol. Its IUPAC name is 1-[3-bromo-5-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[3-bromo-5-(trifluoromethyl)phenyl]piperazine
PubChem CID22717043
Molecular FormulaC11H12BrF3N2
Molecular Weight309.13 g/mol
Exact Mass308.01
IUPAC Name1-[3-bromo-5-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cc(Br)cc(N2CCNCC2)c1
InChIInChI=1S/C11H12BrF3N2/c12-9-5-8(11(13,14)15)6-10(7-9)17-3-1-16-2-4-17/h5-7,16H,1-4H2
InChIKeyVFPHNYWUVXZSOO-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[3-bromo-5-(trifluoromethyl)phenyl]piperazine (CID 22717043) is 1-[3-bromo-5-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[3-bromo-5-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[3-bromo-5-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cc(Br)cc(N2CCNCC2)c1.
What is the InChIKey of 1-[3-bromo-5-(trifluoromethyl)phenyl]piperazine?
The InChIKey is VFPHNYWUVXZSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2/c12-9-5-8(11(13,14)15)6-10(7-9)17-3-1-16-2-4-17/h5-7,16H,1-4H2.
What are the key properties of 1-[3-bromo-5-(trifluoromethyl)phenyl]piperazine?
1-[3-bromo-5-(trifluoromethyl)phenyl]piperazine has a molecular weight of 309.13 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 22717043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).