1-[(1R)-2,2,2-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride

C14H14Cl2F10N2 — CID 171284041

About 1-[(1R)-2,2,2-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride

1-[(1R)-2,2,2-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride (PubChem CID 171284041) has the molecular formula C14H14Cl2F10N2 and a molecular weight of 471.17 g/mol. Its IUPAC name is 1-[(1R)-2,2,2-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride.

Molecular Properties

• Compound Name: 1-[(1R)-2,2,2-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
• PubChem CID: 171284041
• Molecular Formula: C14H14Cl2F10N2
• Molecular Weight: 471.17 g/mol
• Exact Mass: 470.04
• IUPAC Name: 1-[(1R)-2,2,2-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
• SMILES: Cl.Cl.Fc1cc(C(F)(F)F)cc(C(F)(F)F)c1[C@@H](N1CCNCC1)C(F)(F)F
• InChI: InChI=1S/C14H12F10N2.2ClH/c15-9-6-7(12(16,17)18)5-8(13(19,20)21)10(9)11(14(22,23)24)26-3-1-25-2-4-26;;/h5-6,11,25H,1-4H2;2*1H/t11-;;/m1../s1
• InChIKey: IJAASRLIJBEKGX-NVJADKKVSA-N
• XLogP: 5.22
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.17
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride?

The IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride (CID 171284041) is 1-[(1R)-2,2,2-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride.

What is the SMILES notation for 1-[(1R)-2,2,2-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride?

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

What is the InChIKey of 1-[(1R)-2,2,2-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride?

The InChIKey is IJAASRLIJBEKGX-NVJADKKVSA-N. The full InChI is InChI=1S/C14H12F10N2.2ClH/c15-9-6-7(12(16,17)18)5-8(13(19,20)21)10(9)11(14(22,23)24)26-3-1-25-2-4-26;;/h5-6,11,25H,1-4H2;2*1H/t11-;;/m1../s1.

What are the key properties of 1-[(1R)-2,2,2-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride?

1-[(1R)-2,2,2-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride has a molecular weight of 471.17 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-2,2,2-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171284041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).