1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride

C19H19Cl2F7N2O — CID 171292758

About 1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride

1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride (PubChem CID 171292758) has the molecular formula C19H19Cl2F7N2O and a molecular weight of 495.27 g/mol. Its IUPAC name is 1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride.

Molecular Properties

• Compound Name: 1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
• PubChem CID: 171292758
• Molecular Formula: C19H19Cl2F7N2O
• Molecular Weight: 495.27 g/mol
• Exact Mass: 494.08
• IUPAC Name: 1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
• SMILES: Cl.Cl.Fc1ccc(C(F)(F)F)cc1[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1
• InChI: InChI=1S/C19H17F7N2O.2ClH/c20-16-6-3-13(18(21,22)23)11-15(16)17(28-9-7-27-8-10-28)12-1-4-14(5-2-12)29-19(24,25)26;;/h1-6,11,17,27H,7-10H2;2*1H/t17-;;/m1../s1
• InChIKey: LNTSLYMICXFQKE-ZEECNFPPSA-N
• XLogP: 5.58
• TPSA: 24.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.27
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?

The IUPAC name of 1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride (CID 171292758) is 1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride.

What is the SMILES notation for 1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?

The canonical SMILES for 1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride is Cl.Cl.Fc1ccc(C(F)(F)F)cc1[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1.

What is the InChIKey of 1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?

The InChIKey is LNTSLYMICXFQKE-ZEECNFPPSA-N. The full InChI is InChI=1S/C19H17F7N2O.2ClH/c20-16-6-3-13(18(21,22)23)11-15(16)17(28-9-7-27-8-10-28)12-1-4-14(5-2-12)29-19(24,25)26;;/h1-6,11,17,27H,7-10H2;2*1H/t17-;;/m1../s1.

What are the key properties of 1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?

1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride has a molecular weight of 495.27 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(R)-[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171292758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).