Trifluoperazine

C₂₁H₂₄F₃N₃S — CID 5566

About Trifluoperazine

Trifluoperazine (PubChem CID 5566) has the molecular formula C₂₁H₂₄F₃N₃S and a molecular weight of 407.51 g/mol. Its IUPAC name is 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine.

Molecular Properties

• Compound Name: Trifluoperazine
• PubChem CID: 5566
• Molecular Formula: C₂₁H₂₄F₃N₃S
• Molecular Weight: 407.51 g/mol
• Exact Mass: 407.16
• IUPAC Name: 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
• SMILES: CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
• InChI: InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
• InChIKey: ZEWQUBUPAILYHI-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 9.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.51
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Trifluoperazine?

The IUPAC name of Trifluoperazine (CID 5566) is 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine.

What is the SMILES notation for Trifluoperazine?

The canonical SMILES for Trifluoperazine is CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.

What is the InChIKey of Trifluoperazine?

The InChIKey is ZEWQUBUPAILYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3.

What are the key properties of Trifluoperazine?

Trifluoperazine has a molecular weight of 407.51 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Trifluoperazine is sourced from PubChem (CID 5566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5566 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2740 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.