(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine

C17H17F3N2 — CID 59822611

IUPAC(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1c1cc(F)cc(-c2c(F)cccc2F)c1
InChIInChI=1S/C17H17F3N2/c1-11-10-21-5-6-22(11)14-8-12(7-13(18)9-14)17-15(19)3-2-4-16(17)20/h2-4,7-9,11,21H,5-6,10H2,1H3/t11-/m1/s1
InChIKeySOAZRNJAVMYONM-LLVKDONJSA-N
MW306.33 g/mol
LogP3.57
Rot. Bonds2

About (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine

(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine (PubChem CID 59822611) has the molecular formula C17H17F3N2 and a molecular weight of 306.33 g/mol. Its IUPAC name is (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine
PubChem CID59822611
Molecular FormulaC17H17F3N2
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1c1cc(F)cc(-c2c(F)cccc2F)c1
InChIInChI=1S/C17H17F3N2/c1-11-10-21-5-6-22(11)14-8-12(7-13(18)9-14)17-15(19)3-2-4-16(17)20/h2-4,7-9,11,21H,5-6,10H2,1H3/t11-/m1/s1
InChIKeySOAZRNJAVMYONM-LLVKDONJSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine (CID 59822611) is (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine is C[C@@H]1CNCCN1c1cc(F)cc(-c2c(F)cccc2F)c1.
What is the InChIKey of (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine?
The InChIKey is SOAZRNJAVMYONM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17F3N2/c1-11-10-21-5-6-22(11)14-8-12(7-13(18)9-14)17-15(19)3-2-4-16(17)20/h2-4,7-9,11,21H,5-6,10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine?
(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine has a molecular weight of 306.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine is sourced from PubChem (CID 59822611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).