benzene;1-(trifluoromethyl)piperazine

C11H15F3N2 — CID 174420809

IUPACbenzene;1-(trifluoromethyl)piperazine
SMILESFC(F)(F)N1CCNCC1.c1ccccc1
InChIInChI=1S/C6H6.C5H9F3N2/c1-2-4-6-5-3-1;6-5(7,8)10-3-1-9-2-4-10/h1-6H;9H,1-4H2
InChIKeyZQHQCYOWIYRZIP-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.10
Rot. Bonds

About benzene;1-(trifluoromethyl)piperazine

benzene;1-(trifluoromethyl)piperazine (PubChem CID 174420809) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is benzene;1-(trifluoromethyl)piperazine.

Molecular Properties

Compound Namebenzene;1-(trifluoromethyl)piperazine
PubChem CID174420809
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Namebenzene;1-(trifluoromethyl)piperazine
SMILESFC(F)(F)N1CCNCC1.c1ccccc1
InChIInChI=1S/C6H6.C5H9F3N2/c1-2-4-6-5-3-1;6-5(7,8)10-3-1-9-2-4-10/h1-6H;9H,1-4H2
InChIKeyZQHQCYOWIYRZIP-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 benzene;1-(trifluoromethyl)piperazine?
The IUPAC name of benzene;1-(trifluoromethyl)piperazine (CID 174420809) is benzene;1-(trifluoromethyl)piperazine.
What is the SMILES notation for benzene;1-(trifluoromethyl)piperazine?
The canonical SMILES for benzene;1-(trifluoromethyl)piperazine is FC(F)(F)N1CCNCC1.c1ccccc1.
What is the InChIKey of benzene;1-(trifluoromethyl)piperazine?
The InChIKey is ZQHQCYOWIYRZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H9F3N2/c1-2-4-6-5-3-1;6-5(7,8)10-3-1-9-2-4-10/h1-6H;9H,1-4H2.
What are the key properties of benzene;1-(trifluoromethyl)piperazine?
benzene;1-(trifluoromethyl)piperazine has a molecular weight of 232.25 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-(trifluoromethyl)piperazine is sourced from PubChem (CID 174420809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).