1-[3-(difluoromethyl)phenyl]piperazine

C11H14F2N2 — CID 68813114

IUPAC1-[3-(difluoromethyl)phenyl]piperazine
SMILESFC(F)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C11H14F2N2/c12-11(13)9-2-1-3-10(8-9)15-6-4-14-5-7-15/h1-3,8,11,14H,4-7H2
InChIKeyOVYGOADATLWIIS-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.03
Rot. Bonds2

About 1-[3-(difluoromethyl)phenyl]piperazine

1-[3-(difluoromethyl)phenyl]piperazine (PubChem CID 68813114) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]piperazine
PubChem CID68813114
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name1-[3-(difluoromethyl)phenyl]piperazine
SMILESFC(F)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C11H14F2N2/c12-11(13)9-2-1-3-10(8-9)15-6-4-14-5-7-15/h1-3,8,11,14H,4-7H2
InChIKeyOVYGOADATLWIIS-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]piperazine (CID 68813114) is 1-[3-(difluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]piperazine is FC(F)c1cccc(N2CCNCC2)c1.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]piperazine?
The InChIKey is OVYGOADATLWIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c12-11(13)9-2-1-3-10(8-9)15-6-4-14-5-7-15/h1-3,8,11,14H,4-7H2.
What are the key properties of 1-[3-(difluoromethyl)phenyl]piperazine?
1-[3-(difluoromethyl)phenyl]piperazine has a molecular weight of 212.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]piperazine is sourced from PubChem (CID 68813114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).