(3R)-2,2-difluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride

C15H20ClF5N2O3 — CID 171180267

About (3R)-2,2-difluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride

(3R)-2,2-difluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride (PubChem CID 171180267) has the molecular formula C15H20ClF5N2O3 and a molecular weight of 406.78 g/mol. Its IUPAC name is (3R)-2,2-difluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

• Compound Name: (3R)-2,2-difluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride
• PubChem CID: 171180267
• Molecular Formula: C15H20ClF5N2O3
• Molecular Weight: 406.78 g/mol
• Exact Mass: 406.11
• IUPAC Name: (3R)-2,2-difluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride
• SMILES: COc1ccc(OC(F)(F)F)cc1[C@@H](N1CCNCC1)C(F)(F)CO.Cl
• InChI: InChI=1S/C15H19F5N2O3.ClH/c1-24-12-3-2-10(25-15(18,19)20)8-11(12)13(14(16,17)9-23)22-6-4-21-5-7-22;/h2-3,8,13,21,23H,4-7,9H2,1H3;1H/t13-;/m1./s1
• InChIKey: UWPQNRVBFPBWCW-BTQNPOSSSA-N
• XLogP: 2.59
• TPSA: 53.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.78
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-difluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride?

The IUPAC name of (3R)-2,2-difluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride (CID 171180267) is (3R)-2,2-difluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride.

What is the SMILES notation for (3R)-2,2-difluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride?

The canonical SMILES for (3R)-2,2-difluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride is COc1ccc(OC(F)(F)F)cc1[C@@H](N1CCNCC1)C(F)(F)CO.Cl.

What is the InChIKey of (3R)-2,2-difluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride?

The InChIKey is UWPQNRVBFPBWCW-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H19F5N2O3.ClH/c1-24-12-3-2-10(25-15(18,19)20)8-11(12)13(14(16,17)9-23)22-6-4-21-5-7-22;/h2-3,8,13,21,23H,4-7,9H2,1H3;1H/t13-;/m1./s1.

What are the key properties of (3R)-2,2-difluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride?

(3R)-2,2-difluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 406.78 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-2,2-difluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 171180267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).