1-[(1R)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride

C15H16ClF9N2 — CID 171178106

About 1-[(1R)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride

1-[(1R)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride (PubChem CID 171178106) has the molecular formula C15H16ClF9N2 and a molecular weight of 430.74 g/mol. Its IUPAC name is 1-[(1R)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride.

Molecular Properties

• Compound Name: 1-[(1R)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
• PubChem CID: 171178106
• Molecular Formula: C15H16ClF9N2
• Molecular Weight: 430.74 g/mol
• Exact Mass: 430.09
• IUPAC Name: 1-[(1R)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
• SMILES: Cl.Fc1cc(C(F)(F)F)cc(C(F)(F)F)c1[C@@H](CC(F)F)N1CCNCC1
• InChI: InChI=1S/C15H15F9N2.ClH/c16-10-6-8(14(19,20)21)5-9(15(22,23)24)13(10)11(7-12(17)18)26-3-1-25-2-4-26;/h5-6,11-12,25H,1-4,7H2;1H/t11-;/m1./s1
• InChIKey: UIYNMAGLSOJLOQ-RFVHGSKJSA-N
• XLogP: 4.89
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.74
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?

The IUPAC name of 1-[(1R)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride (CID 171178106) is 1-[(1R)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride.

What is the SMILES notation for 1-[(1R)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?

The canonical SMILES for 1-[(1R)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride is Cl.Fc1cc(C(F)(F)F)cc(C(F)(F)F)c1[C@@H](CC(F)F)N1CCNCC1.

What is the InChIKey of 1-[(1R)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?

The InChIKey is UIYNMAGLSOJLOQ-RFVHGSKJSA-N. The full InChI is InChI=1S/C15H15F9N2.ClH/c16-10-6-8(14(19,20)21)5-9(15(22,23)24)13(10)11(7-12(17)18)26-3-1-25-2-4-26;/h5-6,11-12,25H,1-4,7H2;1H/t11-;/m1./s1.

What are the key properties of 1-[(1R)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?

1-[(1R)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride has a molecular weight of 430.74 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride is sourced from PubChem (CID 171178106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).