1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine

C18H17F5N2 — CID 71080668

IUPAC1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine
SMILESCc1cc(F)c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(F)c1
InChIInChI=1S/C18H17F5N2/c1-12-10-15(19)17(16(20)11-12)25-8-6-24(7-9-25)14-4-2-13(3-5-14)18(21,22)23/h2-5,10-11H,6-9H2,1H3
InChIKeyQMPWJAHILUAWDK-UHFFFAOYSA-N
MW356.34 g/mol
LogP4.62
Rot. Bonds2

About 1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine

1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine (PubChem CID 71080668) has the molecular formula C18H17F5N2 and a molecular weight of 356.34 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine
PubChem CID71080668
Molecular FormulaC18H17F5N2
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine
SMILESCc1cc(F)c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(F)c1
InChIInChI=1S/C18H17F5N2/c1-12-10-15(19)17(16(20)11-12)25-8-6-24(7-9-25)14-4-2-13(3-5-14)18(21,22)23/h2-5,10-11H,6-9H2,1H3
InChIKeyQMPWJAHILUAWDK-UHFFFAOYSA-N
XLogP4.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine (CID 71080668) is 1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine is Cc1cc(F)c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(F)c1.
What is the InChIKey of 1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is QMPWJAHILUAWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N2/c1-12-10-15(19)17(16(20)11-12)25-8-6-24(7-9-25)14-4-2-13(3-5-14)18(21,22)23/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine?
1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 356.34 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 71080668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).