benzene;fluorobenzene;piperazine

C16H21FN2 — CID 161000985

IUPACbenzene;fluorobenzene;piperazine
SMILESC1CNCCN1.Fc1ccccc1.c1ccccc1
InChIInChI=1S/C6H5F.C6H6.C4H10N2/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1/h1-5H;1-6H;5-6H,1-4H2
InChIKeyTVWJCQGFNQLLQM-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.69
Rot. Bonds

About benzene;fluorobenzene;piperazine

benzene;fluorobenzene;piperazine (PubChem CID 161000985) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is benzene;fluorobenzene;piperazine.

Molecular Properties

Compound Namebenzene;fluorobenzene;piperazine
PubChem CID161000985
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Namebenzene;fluorobenzene;piperazine
SMILESC1CNCCN1.Fc1ccccc1.c1ccccc1
InChIInChI=1S/C6H5F.C6H6.C4H10N2/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1/h1-5H;1-6H;5-6H,1-4H2
InChIKeyTVWJCQGFNQLLQM-UHFFFAOYSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;fluorobenzene;piperazine?
The IUPAC name of benzene;fluorobenzene;piperazine (CID 161000985) is benzene;fluorobenzene;piperazine.
What is the SMILES notation for benzene;fluorobenzene;piperazine?
The canonical SMILES for benzene;fluorobenzene;piperazine is C1CNCCN1.Fc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;fluorobenzene;piperazine?
The InChIKey is TVWJCQGFNQLLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F.C6H6.C4H10N2/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1/h1-5H;1-6H;5-6H,1-4H2.
What are the key properties of benzene;fluorobenzene;piperazine?
benzene;fluorobenzene;piperazine has a molecular weight of 260.36 g/mol, XLogP of 2.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;fluorobenzene;piperazine is sourced from PubChem (CID 161000985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).